(2S)-2-amino-5-(carbamoylamino)-N-phenylmethoxypentanamide

C13H20N4O3 — CID 141443223

IUPAC(2S)-2-amino-5-(carbamoylamino)-N-phenylmethoxypentanamide
SMILESNC(=O)NCCC[C@H](N)C(=O)NOCc1ccccc1
InChIInChI=1S/C13H20N4O3/c14-11(7-4-8-16-13(15)19)12(18)17-20-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,17,18)(H3,15,16,19)/t11-/m0/s1
InChIKeyCTUVURFNJXUFLB-NSHDSACASA-N
MW280.33 g/mol
LogP0.01
Rot. Bonds8

About (2S)-2-amino-5-(carbamoylamino)-N-phenylmethoxypentanamide

(2S)-2-amino-5-(carbamoylamino)-N-phenylmethoxypentanamide (PubChem CID 141443223) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is (2S)-2-amino-5-(carbamoylamino)-N-phenylmethoxypentanamide.

Molecular Properties

Compound Name(2S)-2-amino-5-(carbamoylamino)-N-phenylmethoxypentanamide
PubChem CID141443223
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name(2S)-2-amino-5-(carbamoylamino)-N-phenylmethoxypentanamide
SMILESNC(=O)NCCC[C@H](N)C(=O)NOCc1ccccc1
InChIInChI=1S/C13H20N4O3/c14-11(7-4-8-16-13(15)19)12(18)17-20-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,17,18)(H3,15,16,19)/t11-/m0/s1
InChIKeyCTUVURFNJXUFLB-NSHDSACASA-N
XLogP0.01
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(carbamoylamino)pentanoic acid;2-amino-3-phenylpropanoic acid
CID 23208419
2-amino-4-phenyl-N-phenylmethoxybutanamide
CID 76637297
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288
5-amino-2-benzyl-8-(carbamoylamino)-4-oxooctanoic acid
CID 146157203
benzyl (2S)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808145
benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808146
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-5-(carbamoylamino)pentanoyl]amino]-3-phenylpropanoyl]amino]hexanoic acid
CID 175696016
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
2-amino-2-phenyl-N-phenylmethoxyacetamide
CID 64974988
[4-[[(2R)-2-amino-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl acetate
CID 118017261
benzyl N-[5-amino-6-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-6-oxohexyl]carbamate
CID 123583612
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-5-(carbamoylamino)pentanoyl]amino]-4-phenylbutanoyl]amino]hexanoic acid
CID 175695977

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(carbamoylamino)-N-phenylmethoxypentanamide?
The IUPAC name of (2S)-2-amino-5-(carbamoylamino)-N-phenylmethoxypentanamide (CID 141443223) is (2S)-2-amino-5-(carbamoylamino)-N-phenylmethoxypentanamide.
What is the SMILES notation for (2S)-2-amino-5-(carbamoylamino)-N-phenylmethoxypentanamide?
The canonical SMILES for (2S)-2-amino-5-(carbamoylamino)-N-phenylmethoxypentanamide is NC(=O)NCCC[C@H](N)C(=O)NOCc1ccccc1.
What is the InChIKey of (2S)-2-amino-5-(carbamoylamino)-N-phenylmethoxypentanamide?
The InChIKey is CTUVURFNJXUFLB-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N4O3/c14-11(7-4-8-16-13(15)19)12(18)17-20-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,17,18)(H3,15,16,19)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-5-(carbamoylamino)-N-phenylmethoxypentanamide?
(2S)-2-amino-5-(carbamoylamino)-N-phenylmethoxypentanamide has a molecular weight of 280.33 g/mol, XLogP of 0.01, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(carbamoylamino)-N-phenylmethoxypentanamide is sourced from PubChem (CID 141443223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).