(2S)-2,5-diamino-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]pentanamide

C14H23N3O3 — CID 141009341

IUPAC(2S)-2,5-diamino-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]pentanamide
SMILESCOc1ccc(C(CO)NC(=O)[C@@H](N)CCCN)cc1
InChIInChI=1S/C14H23N3O3/c1-20-11-6-4-10(5-7-11)13(9-18)17-14(19)12(16)3-2-8-15/h4-7,12-13,18H,2-3,8-9,15-16H2,1H3,(H,17,19)/t12-,13?/m0/s1
InChIKeyKKGKQBNQJHEQEV-UEWDXFNNSA-N
MW281.36 g/mol
LogP-0.09
Rot. Bonds8

About (2S)-2,5-diamino-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]pentanamide

(2S)-2,5-diamino-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]pentanamide (PubChem CID 141009341) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2S)-2,5-diamino-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2,5-diamino-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]pentanamide
PubChem CID141009341
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name(2S)-2,5-diamino-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]pentanamide
SMILESCOc1ccc(C(CO)NC(=O)[C@@H](N)CCCN)cc1
InChIInChI=1S/C14H23N3O3/c1-20-11-6-4-10(5-7-11)13(9-18)17-14(19)12(16)3-2-8-15/h4-7,12-13,18H,2-3,8-9,15-16H2,1H3,(H,17,19)/t12-,13?/m0/s1
InChIKeyKKGKQBNQJHEQEV-UEWDXFNNSA-N
XLogP-0.09
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-2,5-diamino-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[(4R)-4-amino-5-[[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentyl]carbamate;hydrochloride
CID 131722076
2-amino-N-[1-(4-methoxyphenyl)propyl]pentanamide;hydrochloride
CID 119271194
(2R)-2-amino-5-[[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]amino]pentanoic acid
CID 139896071
2-amino-N-(2-hydroxy-1-phenylethyl)hexanamide
CID 63183660
2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide
CID 81363764
(2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide
CID 118730013
1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949257
4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide
CID 43708620
2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363996
4-amino-5-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid
CID 81363763
2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylsulfonylbutanamide
CID 81368689
(2R)-2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363875

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diamino-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]pentanamide?
The IUPAC name of (2S)-2,5-diamino-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]pentanamide (CID 141009341) is (2S)-2,5-diamino-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]pentanamide.
What is the SMILES notation for (2S)-2,5-diamino-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]pentanamide?
The canonical SMILES for (2S)-2,5-diamino-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]pentanamide is COc1ccc(C(CO)NC(=O)[C@@H](N)CCCN)cc1.
What is the InChIKey of (2S)-2,5-diamino-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]pentanamide?
The InChIKey is KKGKQBNQJHEQEV-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-20-11-6-4-10(5-7-11)13(9-18)17-14(19)12(16)3-2-8-15/h4-7,12-13,18H,2-3,8-9,15-16H2,1H3,(H,17,19)/t12-,13?/m0/s1.
What are the key properties of (2S)-2,5-diamino-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]pentanamide?
(2S)-2,5-diamino-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]pentanamide has a molecular weight of 281.36 g/mol, XLogP of -0.09, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diamino-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]pentanamide is sourced from PubChem (CID 141009341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).