(2S)-5-(ethylamino)-5-oxo-2-(phenoxycarbonylamino)pentanoic acid

C14H18N2O5 — CID 176911525

IUPAC(2S)-5-(ethylamino)-5-oxo-2-(phenoxycarbonylamino)pentanoic acid
SMILESCCNC(=O)CC[C@H](NC(=O)Oc1ccccc1)C(=O)O
InChIInChI=1S/C14H18N2O5/c1-2-15-12(17)9-8-11(13(18)19)16-14(20)21-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,15,17)(H,16,20)(H,18,19)/t11-/m0/s1
InChIKeyXJUQMMKIGRQMGD-NSHDSACASA-N
MW294.31 g/mol
LogP1.14
Rot. Bonds7

About (2S)-5-(ethylamino)-5-oxo-2-(phenoxycarbonylamino)pentanoic acid

(2S)-5-(ethylamino)-5-oxo-2-(phenoxycarbonylamino)pentanoic acid (PubChem CID 176911525) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2S)-5-(ethylamino)-5-oxo-2-(phenoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-5-(ethylamino)-5-oxo-2-(phenoxycarbonylamino)pentanoic acid
PubChem CID176911525
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name(2S)-5-(ethylamino)-5-oxo-2-(phenoxycarbonylamino)pentanoic acid
SMILESCCNC(=O)CC[C@H](NC(=O)Oc1ccccc1)C(=O)O
InChIInChI=1S/C14H18N2O5/c1-2-15-12(17)9-8-11(13(18)19)16-14(20)21-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,15,17)(H,16,20)(H,18,19)/t11-/m0/s1
InChIKeyXJUQMMKIGRQMGD-NSHDSACASA-N
XLogP1.14
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-5-(ethylamino)-5-oxo-2-(phenoxycarbonylamino)pentanoic acid 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

5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid
CID 23278909
phenyl N-[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 171980527
(2R)-5-amino-2-(phenoxycarbonylamino)pentanoic acid
CID 57295960
(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenoxycarbonylamino)hexanoic acid
CID 10981399
2-methyl-4-(phenoxycarbonylamino)butanoic acid
CID 80540498
(2S)-2-(phenoxycarbonylamino)-3-pyrazol-1-ylpropanoic acid
CID 58697017
(2S)-5-(diaminomethylideneamino)-2-(phenoxycarbonylamino)pentanoic acid
CID 146472259
phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate
CID 60659612
phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate
CID 61124407
(2R)-3-methyl-2-(phenoxycarbonylamino)butanoic acid
CID 14186251
methyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate
CID 43407067
(2S)-2-(2-phenoxypropanoylamino)pentanedioic acid
CID 61152729

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(ethylamino)-5-oxo-2-(phenoxycarbonylamino)pentanoic acid?
The IUPAC name of (2S)-5-(ethylamino)-5-oxo-2-(phenoxycarbonylamino)pentanoic acid (CID 176911525) is (2S)-5-(ethylamino)-5-oxo-2-(phenoxycarbonylamino)pentanoic acid.
What is the SMILES notation for (2S)-5-(ethylamino)-5-oxo-2-(phenoxycarbonylamino)pentanoic acid?
The canonical SMILES for (2S)-5-(ethylamino)-5-oxo-2-(phenoxycarbonylamino)pentanoic acid is CCNC(=O)CC[C@H](NC(=O)Oc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-5-(ethylamino)-5-oxo-2-(phenoxycarbonylamino)pentanoic acid?
The InChIKey is XJUQMMKIGRQMGD-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N2O5/c1-2-15-12(17)9-8-11(13(18)19)16-14(20)21-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,15,17)(H,16,20)(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-5-(ethylamino)-5-oxo-2-(phenoxycarbonylamino)pentanoic acid?
(2S)-5-(ethylamino)-5-oxo-2-(phenoxycarbonylamino)pentanoic acid has a molecular weight of 294.31 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(ethylamino)-5-oxo-2-(phenoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 176911525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).