N'-[(2R)-5-amino-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-methylamino]-1-oxopentan-2-yl]butanediamide

C19H29N5O5 — CID 174299617

IUPACN'-[(2R)-5-amino-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-methylamino]-1-oxopentan-2-yl]butanediamide
SMILESCN(C(=O)[C@@H](CCCN)NC(=O)CCC(N)=O)C(Cc1ccc(O)cc1)C(N)=O
InChIInChI=1S/C19H29N5O5/c1-24(15(18(22)28)11-12-4-6-13(25)7-5-12)19(29)14(3-2-10-20)23-17(27)9-8-16(21)26/h4-7,14-15,25H,2-3,8-11,20H2,1H3,(H2,21,26)(H2,22,28)(H,23,27)/t14-,15?/m1/s1
InChIKeyRRMZKJZGBHXQLW-GICMACPYSA-N
MW407.47 g/mol
LogP-1.26
Rot. Bonds12

About N'-[(2R)-5-amino-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-methylamino]-1-oxopentan-2-yl]butanediamide

N'-[(2R)-5-amino-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-methylamino]-1-oxopentan-2-yl]butanediamide (PubChem CID 174299617) has the molecular formula C19H29N5O5 and a molecular weight of 407.47 g/mol. Its IUPAC name is N'-[(2R)-5-amino-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-methylamino]-1-oxopentan-2-yl]butanediamide.

Molecular Properties

Compound NameN'-[(2R)-5-amino-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-methylamino]-1-oxopentan-2-yl]butanediamide
PubChem CID174299617
Molecular FormulaC19H29N5O5
Molecular Weight407.47 g/mol
Exact Mass407.22
IUPAC NameN'-[(2R)-5-amino-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-methylamino]-1-oxopentan-2-yl]butanediamide
SMILESCN(C(=O)[C@@H](CCCN)NC(=O)CCC(N)=O)C(Cc1ccc(O)cc1)C(N)=O
InChIInChI=1S/C19H29N5O5/c1-24(15(18(22)28)11-12-4-6-13(25)7-5-12)19(29)14(3-2-10-20)23-17(27)9-8-16(21)26/h4-7,14-15,25H,2-3,8-11,20H2,1H3,(H2,21,26)(H2,22,28)(H,23,27)/t14-,15?/m1/s1
InChIKeyRRMZKJZGBHXQLW-GICMACPYSA-N
XLogP-1.26
TPSA181.84 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 5-1.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N'-methylbutanediamide
CID 174300055
N-[(2S)-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-methylpentanoyl]amino]-N-methylpentanediamide
CID 58342290
(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanamide
CID 70366423
(2R)-2-acetamido-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 38359873
3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide
CID 71080092
methyl 2-(7-aminoheptanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 23453623
(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-N-methylhexanamide
CID 53327027
2-(6-aminohexanoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 61156802
(2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
CID 70475994
N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexadecanamide
CID 46940649
2-(3-aminopropanoylamino)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride
CID 139026475
(2-methoxy-2-oxoethyl) (2S)-2-[[(2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(3-phenylpropanoylamino)propanoyl]-methylamino]-3-(4-methoxyphenyl)propanoyl]-methylamino]-3-phenylpropanoate
CID 46878813

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-5-amino-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-methylamino]-1-oxopentan-2-yl]butanediamide?
The IUPAC name of N'-[(2R)-5-amino-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-methylamino]-1-oxopentan-2-yl]butanediamide (CID 174299617) is N'-[(2R)-5-amino-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-methylamino]-1-oxopentan-2-yl]butanediamide.
What is the SMILES notation for N'-[(2R)-5-amino-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-methylamino]-1-oxopentan-2-yl]butanediamide?
The canonical SMILES for N'-[(2R)-5-amino-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-methylamino]-1-oxopentan-2-yl]butanediamide is CN(C(=O)[C@@H](CCCN)NC(=O)CCC(N)=O)C(Cc1ccc(O)cc1)C(N)=O.
What is the InChIKey of N'-[(2R)-5-amino-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-methylamino]-1-oxopentan-2-yl]butanediamide?
The InChIKey is RRMZKJZGBHXQLW-GICMACPYSA-N. The full InChI is InChI=1S/C19H29N5O5/c1-24(15(18(22)28)11-12-4-6-13(25)7-5-12)19(29)14(3-2-10-20)23-17(27)9-8-16(21)26/h4-7,14-15,25H,2-3,8-11,20H2,1H3,(H2,21,26)(H2,22,28)(H,23,27)/t14-,15?/m1/s1.
What are the key properties of N'-[(2R)-5-amino-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-methylamino]-1-oxopentan-2-yl]butanediamide?
N'-[(2R)-5-amino-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-methylamino]-1-oxopentan-2-yl]butanediamide has a molecular weight of 407.47 g/mol, XLogP of -1.26, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-5-amino-1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-methylamino]-1-oxopentan-2-yl]butanediamide is sourced from PubChem (CID 174299617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).