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

C11H18N2O4 — CID 90241552

IUPAC5-amino-2-[[(E)-hex-2-enoyl]amino]-5-oxopentanoic acid
SMILESCCC/C=C/C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-2-3-4-5-10(15)13-8(11(16)17)6-7-9(12)14/h4-5,8H,2-3,6-7H2,1H3,(H2,12,14)(H,13,15)(H,16,17)/b5-4+
InChIKeyGHRGAPQBVGNLRH-SNAWJCMRSA-N
MW242.27 g/mol
LogP0.18
Rot. Bonds8

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

5-amino-2-[[(E)-hex-2-enoyl]amino]-5-oxopentanoic acid (PubChem CID 90241552) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-amino-2-[[(E)-hex-2-enoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[(E)-hex-2-enoyl]amino]-5-oxopentanoic acid
PubChem CID90241552
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name5-amino-2-[[(E)-hex-2-enoyl]amino]-5-oxopentanoic acid
SMILESCCC/C=C/C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-2-3-4-5-10(15)13-8(11(16)17)6-7-9(12)14/h4-5,8H,2-3,6-7H2,1H3,(H2,12,14)(H,13,15)(H,16,17)/b5-4+
InChIKeyGHRGAPQBVGNLRH-SNAWJCMRSA-N
XLogP0.18
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
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 ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-hept-2-enoyl]amino]pentanedioic acid
CID 90258545
2-[[(E)-undec-2-enoyl]amino]pentanedioic acid
CID 90258065
5-amino-2-[[(E)-2-methylhex-2-enoyl]amino]-5-oxopentanoic acid
CID 90240667
5-amino-2-(nonadec-9-enoylamino)-5-oxopentanoic acid
CID 123328300
5-amino-5-oxo-2-[[(E)-tetracos-15-enoyl]amino]pentanoic acid
CID 156963106
(2S)-5-amino-2-[[(Z)-icos-11-enoyl]amino]-5-oxopentanoic acid
CID 171116799
(2S)-5-amino-2-[[(Z)-heptadec-9-enoyl]amino]-5-oxopentanoic acid
CID 171116793
5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid
CID 18318649
(2R)-5-amino-2-(heptanoylamino)-5-oxopentanoic acid
CID 107830072
(2S)-5-amino-2-(hexadecanoylamino)-5-oxopentanoic acid
CID 52922071
(2S)-5-amino-2-(nonadecanoylamino)-5-oxopentanoic acid
CID 171116797
CID 175770301
CID 175770301

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[(E)-hex-2-enoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[[(E)-hex-2-enoyl]amino]-5-oxopentanoic acid (CID 90241552) is 5-amino-2-[[(E)-hex-2-enoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[[(E)-hex-2-enoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[[(E)-hex-2-enoyl]amino]-5-oxopentanoic acid is CCC/C=C/C(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-[[(E)-hex-2-enoyl]amino]-5-oxopentanoic acid?
The InChIKey is GHRGAPQBVGNLRH-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-2-3-4-5-10(15)13-8(11(16)17)6-7-9(12)14/h4-5,8H,2-3,6-7H2,1H3,(H2,12,14)(H,13,15)(H,16,17)/b5-4+.
What are the key properties of 5-amino-2-[[(E)-hex-2-enoyl]amino]-5-oxopentanoic acid?
5-amino-2-[[(E)-hex-2-enoyl]amino]-5-oxopentanoic acid has a molecular weight of 242.27 g/mol, XLogP of 0.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[(E)-hex-2-enoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 90241552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).