(2R)-4-methyl-2-[phenylmethoxycarbonyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoic acid

C24H30N2O6 — CID 11744070

IUPAC(2R)-4-methyl-2-[phenylmethoxycarbonyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoic acid
SMILESCC(C)C[C@H](C(=O)O)N(CCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C24H30N2O6/c1-18(2)15-21(22(27)28)26(24(30)32-17-20-11-7-4-8-12-20)14-13-25-23(29)31-16-19-9-5-3-6-10-19/h3-12,18,21H,13-17H2,1-2H3,(H,25,29)(H,27,28)/t21-/m1/s1
InChIKeyYAXWAZUNCKHBKV-OAQYLSRUSA-N
MW442.51 g/mol
LogP4.05
Rot. Bonds11

About (2R)-4-methyl-2-[phenylmethoxycarbonyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoic acid

(2R)-4-methyl-2-[phenylmethoxycarbonyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoic acid (PubChem CID 11744070) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is (2R)-4-methyl-2-[phenylmethoxycarbonyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[phenylmethoxycarbonyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoic acid
PubChem CID11744070
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Name(2R)-4-methyl-2-[phenylmethoxycarbonyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoic acid
SMILESCC(C)C[C@H](C(=O)O)N(CCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C24H30N2O6/c1-18(2)15-21(22(27)28)26(24(30)32-17-20-11-7-4-8-12-20)14-13-25-23(29)31-16-19-9-5-3-6-10-19/h3-12,18,21H,13-17H2,1-2H3,(H,25,29)(H,27,28)/t21-/m1/s1
InChIKeyYAXWAZUNCKHBKV-OAQYLSRUSA-N
XLogP4.05
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-4-methyl-2-[phenylmethoxycarbonyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoic acid with MolForge

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Related Compounds

4-methyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutyl]-[2-(phenylmethoxycarbonylamino)acetyl]amino]pentanoic acid
CID 69012512
methyl (2R)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-phenylmethoxycarbonylamino]-4-phenylbutanoate
CID 171550580
methyl (2R)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-phenylmethoxycarbonylamino]butanoate
CID 59322115
(2S)-2-[[(1R)-1-carboxy-3-(phenylmethoxycarbonylamino)propyl]amino]-4-methylpentanoic acid
CID 70521661
benzyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-[2-(phenylmethoxycarbonylamino)ethyl]carbamate
CID 90156380
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-hydroxycarbamate
CID 174607780
(2S)-2-[carboxy-[2-[(2,2-diphenylacetyl)amino]ethyl]amino]-4-methylpentanoic acid
CID 70084837
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
benzyl N-(6-methylheptyl)carbamate
CID 59918495
(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67585772
benzyl N-[(3R)-3-methyl-4-(2-methylpropylamino)butyl]carbamate
CID 134268781
benzyl N-[2-[bis(2-hydroxyethyl)amino]ethyl]carbamate
CID 23510764

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[phenylmethoxycarbonyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[phenylmethoxycarbonyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoic acid (CID 11744070) is (2R)-4-methyl-2-[phenylmethoxycarbonyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[phenylmethoxycarbonyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[phenylmethoxycarbonyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoic acid is CC(C)C[C@H](C(=O)O)N(CCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of (2R)-4-methyl-2-[phenylmethoxycarbonyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoic acid?
The InChIKey is YAXWAZUNCKHBKV-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30N2O6/c1-18(2)15-21(22(27)28)26(24(30)32-17-20-11-7-4-8-12-20)14-13-25-23(29)31-16-19-9-5-3-6-10-19/h3-12,18,21H,13-17H2,1-2H3,(H,25,29)(H,27,28)/t21-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[phenylmethoxycarbonyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoic acid?
(2R)-4-methyl-2-[phenylmethoxycarbonyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoic acid has a molecular weight of 442.51 g/mol, XLogP of 4.05, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[phenylmethoxycarbonyl-[2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoic acid is sourced from PubChem (CID 11744070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).