(2S)-2-amino-5-(carbamoylamino)-N-[4-(hydroxymethyl)-3-nitrophenyl]pentanamide

C13H19N5O5 — CID 155321355

IUPAC(2S)-2-amino-5-(carbamoylamino)-N-[4-(hydroxymethyl)-3-nitrophenyl]pentanamide
SMILESNC(=O)NCCC[C@H](N)C(=O)Nc1ccc(CO)c([N+](=O)[O-])c1
InChIInChI=1S/C13H19N5O5/c14-10(2-1-5-16-13(15)21)12(20)17-9-4-3-8(7-19)11(6-9)18(22)23/h3-4,6,10,19H,1-2,5,7,14H2,(H,17,20)(H3,15,16,21)/t10-/m0/s1
InChIKeyQNHRMYGWZIAVEH-JTQLQIEISA-N
MW325.33 g/mol
LogP-0.20
Rot. Bonds8

About (2S)-2-amino-5-(carbamoylamino)-N-[4-(hydroxymethyl)-3-nitrophenyl]pentanamide

(2S)-2-amino-5-(carbamoylamino)-N-[4-(hydroxymethyl)-3-nitrophenyl]pentanamide (PubChem CID 155321355) has the molecular formula C13H19N5O5 and a molecular weight of 325.33 g/mol. Its IUPAC name is (2S)-2-amino-5-(carbamoylamino)-N-[4-(hydroxymethyl)-3-nitrophenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-5-(carbamoylamino)-N-[4-(hydroxymethyl)-3-nitrophenyl]pentanamide
PubChem CID155321355
Molecular FormulaC13H19N5O5
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name(2S)-2-amino-5-(carbamoylamino)-N-[4-(hydroxymethyl)-3-nitrophenyl]pentanamide
SMILESNC(=O)NCCC[C@H](N)C(=O)Nc1ccc(CO)c([N+](=O)[O-])c1
InChIInChI=1S/C13H19N5O5/c14-10(2-1-5-16-13(15)21)12(20)17-9-4-3-8(7-19)11(6-9)18(22)23/h3-4,6,10,19H,1-2,5,7,14H2,(H,17,20)(H3,15,16,21)/t10-/m0/s1
InChIKeyQNHRMYGWZIAVEH-JTQLQIEISA-N
XLogP-0.20
TPSA173.61 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 5-0.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-amino-5-(carbamoylamino)-N-[4-(hydroxymethyl)-3-nitrophenyl]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

2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide
CID 60854572
2-amino-N-(4-ethyl-3-nitrophenyl)butanamide
CID 43713228
2-amino-N-(4-ethyl-3-nitrophenyl)-4-methoxybutanamide
CID 62472666
2-amino-N-(4-methyl-3-nitrophenyl)-4-methylsulfonylbutanamide
CID 43101338
2-amino-N-(4-chloro-3-nitrophenyl)-5-methoxypentanamide
CID 81082778
2-amino-N-(4-methyl-3-nitrophenyl)butanamide
CID 43649478
[4-[[(2R)-2-amino-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl acetate
CID 118017261
2-amino-N-(3-bromo-4-nitrophenyl)-5-methoxypentanamide
CID 82864395
(2R)-2-amino-N-(4-ethyl-3-nitrophenyl)-3,3-dimethylbutanamide
CID 103928945
5-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]-2-(hydroxymethyl)benzenesulfonic acid
CID 167525362
(2R)-2,6-diamino-N-(4-nitrophenyl)hexanamide
CID 25200925
N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide
CID 79204865

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(carbamoylamino)-N-[4-(hydroxymethyl)-3-nitrophenyl]pentanamide?
The IUPAC name of (2S)-2-amino-5-(carbamoylamino)-N-[4-(hydroxymethyl)-3-nitrophenyl]pentanamide (CID 155321355) is (2S)-2-amino-5-(carbamoylamino)-N-[4-(hydroxymethyl)-3-nitrophenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-5-(carbamoylamino)-N-[4-(hydroxymethyl)-3-nitrophenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-5-(carbamoylamino)-N-[4-(hydroxymethyl)-3-nitrophenyl]pentanamide is NC(=O)NCCC[C@H](N)C(=O)Nc1ccc(CO)c([N+](=O)[O-])c1.
What is the InChIKey of (2S)-2-amino-5-(carbamoylamino)-N-[4-(hydroxymethyl)-3-nitrophenyl]pentanamide?
The InChIKey is QNHRMYGWZIAVEH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N5O5/c14-10(2-1-5-16-13(15)21)12(20)17-9-4-3-8(7-19)11(6-9)18(22)23/h3-4,6,10,19H,1-2,5,7,14H2,(H,17,20)(H3,15,16,21)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-5-(carbamoylamino)-N-[4-(hydroxymethyl)-3-nitrophenyl]pentanamide?
(2S)-2-amino-5-(carbamoylamino)-N-[4-(hydroxymethyl)-3-nitrophenyl]pentanamide has a molecular weight of 325.33 g/mol, XLogP of -0.20, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(carbamoylamino)-N-[4-(hydroxymethyl)-3-nitrophenyl]pentanamide is sourced from PubChem (CID 155321355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).