2-amino-5-[[(E)-2-methylpent-2-enoyl]amino]-5-oxopentanoic acid

C11H18N2O4 — CID 87804476

IUPAC2-amino-5-[[(E)-2-methylpent-2-enoyl]amino]-5-oxopentanoic acid
SMILESCC/C=C(\C)C(=O)NC(=O)CCC(N)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-3-4-7(2)10(15)13-9(14)6-5-8(12)11(16)17/h4,8H,3,5-6,12H2,1-2H3,(H,16,17)(H,13,14,15)/b7-4+
InChIKeyVASCKFFYFKPNLZ-QPJJXVBHSA-N
MW242.27 g/mol
LogP0.18
Rot. Bonds6

About 2-amino-5-[[(E)-2-methylpent-2-enoyl]amino]-5-oxopentanoic acid

2-amino-5-[[(E)-2-methylpent-2-enoyl]amino]-5-oxopentanoic acid (PubChem CID 87804476) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-amino-5-[[(E)-2-methylpent-2-enoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-5-[[(E)-2-methylpent-2-enoyl]amino]-5-oxopentanoic acid
PubChem CID87804476
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-amino-5-[[(E)-2-methylpent-2-enoyl]amino]-5-oxopentanoic acid
SMILESCC/C=C(\C)C(=O)NC(=O)CCC(N)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-3-4-7(2)10(15)13-9(14)6-5-8(12)11(16)17/h4,8H,3,5-6,12H2,1-2H3,(H,16,17)(H,13,14,15)/b7-4+
InChIKeyVASCKFFYFKPNLZ-QPJJXVBHSA-N
XLogP0.18
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(S)-2,5-Dihydro-2,5-dioxo-alpha-amino-1-methylpyrrole-3-propanoic Acid
CID 9837054
(S)-2,5-Dihydro-2,5-dioxo-alpha-amino-1H-pyrrole-3-propanoic Acid
CID 10464987
(2S)-2-amino-3-[1-(carboxymethyl)-2,5-dioxopyrrol-3-yl]propanoic acid
CID 10399458
N(2)-[(2E)-3-methylhex-2-enoyl]-L-glutaminate
CID 134820072
N-(deca-2E,4E,7Z-trienoyl)-L-glutamine
CID 138376559
((2E,4Z,7Z)-deca-2,4,7-trienoyl)-L-glutamine
CID 138376561
(E,2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-4-methylhex-4-enoic acid
CID 163194956
L-N-(3-methylhex-2-enoyl)-glutamine
CID 87730065
2-(l-gamma-Glutamyl-l-alpha-aminobutyrylamino)ethylacrylamide
CID 138404228
(E)-5-[(4-amino-4-carboxybutyl)-hydroxyamino]-3-methyl-5-oxopent-3-enoic acid
CID 91820433
(S)-2-Amino-3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)propanoic acid 2,2,2-trifluoroacetate
CID 168437458
(2S)-5-amino-2-[[(E)-oct-2-enoyl]amino]-5-oxopentanoic acid
CID 172879922

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[(E)-2-methylpent-2-enoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 2-amino-5-[[(E)-2-methylpent-2-enoyl]amino]-5-oxopentanoic acid (CID 87804476) is 2-amino-5-[[(E)-2-methylpent-2-enoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 2-amino-5-[[(E)-2-methylpent-2-enoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 2-amino-5-[[(E)-2-methylpent-2-enoyl]amino]-5-oxopentanoic acid is CC/C=C(\C)C(=O)NC(=O)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-[[(E)-2-methylpent-2-enoyl]amino]-5-oxopentanoic acid?
The InChIKey is VASCKFFYFKPNLZ-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-3-4-7(2)10(15)13-9(14)6-5-8(12)11(16)17/h4,8H,3,5-6,12H2,1-2H3,(H,16,17)(H,13,14,15)/b7-4+.
What are the key properties of 2-amino-5-[[(E)-2-methylpent-2-enoyl]amino]-5-oxopentanoic acid?
2-amino-5-[[(E)-2-methylpent-2-enoyl]amino]-5-oxopentanoic acid has a molecular weight of 242.27 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[(E)-2-methylpent-2-enoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 87804476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).