(2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(3-carbamoylbut-3-enyl)amino]-5-oxopentanoic acid

C14H24N4O5 — CID 138404228

IUPAC(2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(3-carbamoylbut-3-enyl)amino]-5-oxopentanoic acid
SMILESC=C(CCN(C(=O)CC[C@H](N)C(=O)O)C(=O)[C@@H](N)CC)C(N)=O
InChIInChI=1S/C14H24N4O5/c1-3-9(15)13(21)18(7-6-8(2)12(17)20)11(19)5-4-10(16)14(22)23/h9-10H,2-7,15-16H2,1H3,(H2,17,20)(H,22,23)/t9-,10-/m0/s1
InChIKeyNADWTFCJLSDBKF-UWVGGRQHSA-N
MW328.37 g/mol
LogP-1.30
Rot. Bonds10

About (2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(3-carbamoylbut-3-enyl)amino]-5-oxopentanoic acid

(2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(3-carbamoylbut-3-enyl)amino]-5-oxopentanoic acid (PubChem CID 138404228) has the molecular formula C14H24N4O5 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(3-carbamoylbut-3-enyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(3-carbamoylbut-3-enyl)amino]-5-oxopentanoic acid
PubChem CID138404228
Molecular FormulaC14H24N4O5
Molecular Weight328.37 g/mol
Exact Mass328.17
IUPAC Name(2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(3-carbamoylbut-3-enyl)amino]-5-oxopentanoic acid
SMILESC=C(CCN(C(=O)CC[C@H](N)C(=O)O)C(=O)[C@@H](N)CC)C(N)=O
InChIInChI=1S/C14H24N4O5/c1-3-9(15)13(21)18(7-6-8(2)12(17)20)11(19)5-4-10(16)14(22)23/h9-10H,2-7,15-16H2,1H3,(H2,17,20)(H,22,23)/t9-,10-/m0/s1
InChIKeyNADWTFCJLSDBKF-UWVGGRQHSA-N
XLogP-1.30
TPSA169.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(3-carbamoylbut-3-enyl)amino]-5-oxopentanoic 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

(S)-2,5-Dihydro-2,5-dioxo-alpha-amino-1-methylpyrrole-3-propanoic Acid
CID 9837054
(2S)-2-amino-4-(cyclopropylcarbamoyl)pent-4-enoic acid
CID 155579016
(2S)-2-amino-4-(piperidine-1-carbonyl)pent-4-enoic acid
CID 171356377
(2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepentanoic acid
CID 162915946
2-(l-gamma-Glutamyl-l-alpha-aminobutyrylamino)ethyl acrylamide
CID 138404227
2-Amino-3-(1-methyl-2,5-dioxopyrrol-3-yl)propanoic acid
CID 21604098
(2S)-2-amino-5-(ethylamino)-5-oxopentanoic acid;(2S)-2-amino-4-methylidenepentanedioic acid
CID 22876886
Dicarboxy-[1-carboxy-4-(2-methylprop-2-enoylamino)butyl]-methylazanium
CID 57039804
4-Amino-5-(2-methylprop-2-enylamino)-5-oxopentanoic acid
CID 87666245
(4S)-4-amino-5-(2-methylprop-2-enoylamino)-5-oxopentanoic acid
CID 87666248
2-amino-5-[[(E)-2-methylpent-2-enoyl]amino]-5-oxopentanoic acid
CID 87804476
2-Amino-5-(2-methylprop-2-enoylamino)-5-oxopentanoic acid
CID 88259952

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(3-carbamoylbut-3-enyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(3-carbamoylbut-3-enyl)amino]-5-oxopentanoic acid (CID 138404228) is (2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(3-carbamoylbut-3-enyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(3-carbamoylbut-3-enyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(3-carbamoylbut-3-enyl)amino]-5-oxopentanoic acid is C=C(CCN(C(=O)CC[C@H](N)C(=O)O)C(=O)[C@@H](N)CC)C(N)=O.
What is the InChIKey of (2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(3-carbamoylbut-3-enyl)amino]-5-oxopentanoic acid?
The InChIKey is NADWTFCJLSDBKF-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H24N4O5/c1-3-9(15)13(21)18(7-6-8(2)12(17)20)11(19)5-4-10(16)14(22)23/h9-10H,2-7,15-16H2,1H3,(H2,17,20)(H,22,23)/t9-,10-/m0/s1.
What are the key properties of (2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(3-carbamoylbut-3-enyl)amino]-5-oxopentanoic acid?
(2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(3-carbamoylbut-3-enyl)amino]-5-oxopentanoic acid has a molecular weight of 328.37 g/mol, XLogP of -1.30, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[[(2S)-2-aminobutanoyl]-(3-carbamoylbut-3-enyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 138404228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).