5-[5-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]tetrazol-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid

C24H25N7O7 — CID 19707060

IUPAC5-[5-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]tetrazol-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
SMILESCNC(=O)CNC(=O)c1ccccc1-c1nnnn1CC(=O)C(CC(=O)O)NC(=O)OCc1ccccc1
InChIInChI=1S/C24H25N7O7/c1-25-20(33)12-26-23(36)17-10-6-5-9-16(17)22-28-29-30-31(22)13-19(32)18(11-21(34)35)27-24(37)38-14-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3,(H,25,33)(H,26,36)(H,27,37)(H,34,35)
InChIKeyLMKMLGHNNVOXNM-UHFFFAOYSA-N
MW523.51 g/mol
LogP0.15
Rot. Bonds12

About 5-[5-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]tetrazol-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid

5-[5-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]tetrazol-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid (PubChem CID 19707060) has the molecular formula C24H25N7O7 and a molecular weight of 523.51 g/mol. Its IUPAC name is 5-[5-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]tetrazol-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-[5-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]tetrazol-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
PubChem CID19707060
Molecular FormulaC24H25N7O7
Molecular Weight523.51 g/mol
Exact Mass523.18
IUPAC Name5-[5-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]tetrazol-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
SMILESCNC(=O)CNC(=O)c1ccccc1-c1nnnn1CC(=O)C(CC(=O)O)NC(=O)OCc1ccccc1
InChIInChI=1S/C24H25N7O7/c1-25-20(33)12-26-23(36)17-10-6-5-9-16(17)22-28-29-30-31(22)13-19(32)18(11-21(34)35)27-24(37)38-14-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3,(H,25,33)(H,26,36)(H,27,37)(H,34,35)
InChIKeyLMKMLGHNNVOXNM-UHFFFAOYSA-N
XLogP0.15
TPSA194.50 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.51
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 5-[5-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]tetrazol-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid with MolForge

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Related Compounds

4-oxo-3-(phenylmethoxycarbonylamino)-5-(5-pyridin-4-yltetrazol-1-yl)pentanoic acid
CID 54038131
4-oxo-3-(phenylmethoxycarbonylamino)-5-(5-pyridin-4-yltetrazol-1-yl)pentanoic acid;hydrochloride
CID 70164625
tert-butyl 5-(5-naphthalen-1-yltetrazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate
CID 70093182
5-(5-ethylsulfonyltetrazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 23285476
5-(5-ethylsulfinyltetrazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 23285576
4-oxo-3-(phenylmethoxycarbonylamino)-5-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]pentanoic acid
CID 22614638
5-[5-[2-(methylamino)-2-oxoethyl]tetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 22614693
5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-1-yl]-4-oxo-3-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid
CID 22614751
benzyl N-[2-oxo-1-[5-(3-phenylpropyl)tetrazol-1-yl]pentan-3-yl]carbamate
CID 18726147
4-oxo-3-(phenylmethoxycarbonylamino)-5-[5-(2,3,6-trichlorophenyl)sulfanyltetrazol-1-yl]pentanoic acid
CID 23285557
benzyl N-[(2S)-4-methyl-1-[[(3S)-5-methyl-2-oxo-1-[5-(3-phenylphenyl)tetrazol-1-yl]hexan-3-yl]amino]-1-oxopentan-2-yl]carbamate
CID 20791265
5-[5-(3,4-dichlorophenyl)sulfanyltetrazol-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 22614728

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]tetrazol-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of 5-[5-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]tetrazol-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid (CID 19707060) is 5-[5-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]tetrazol-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for 5-[5-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]tetrazol-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for 5-[5-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]tetrazol-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid is CNC(=O)CNC(=O)c1ccccc1-c1nnnn1CC(=O)C(CC(=O)O)NC(=O)OCc1ccccc1.
What is the InChIKey of 5-[5-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]tetrazol-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid?
The InChIKey is LMKMLGHNNVOXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O7/c1-25-20(33)12-26-23(36)17-10-6-5-9-16(17)22-28-29-30-31(22)13-19(32)18(11-21(34)35)27-24(37)38-14-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3,(H,25,33)(H,26,36)(H,27,37)(H,34,35).
What are the key properties of 5-[5-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]tetrazol-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid?
5-[5-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]tetrazol-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid has a molecular weight of 523.51 g/mol, XLogP of 0.15, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]tetrazol-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 19707060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).