2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepent-4-enoic acid

C11H16N2O5 — CID 24795463

IUPAC2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepent-4-enoic acid
SMILESC=CC(=C)C(NC(=O)CC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C11H16N2O5/c1-3-6(2)9(11(17)18)13-8(14)5-4-7(12)10(15)16/h3,7,9H,1-2,4-5,12H2,(H,13,14)(H,15,16)(H,17,18)/t7-,9?/m0/s1
InChIKeyOYFFZHHPKZICIV-JAVCKPHESA-N
MW256.26 g/mol
LogP-0.51
Rot. Bonds8

About 2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepent-4-enoic acid

2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepent-4-enoic acid (PubChem CID 24795463) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepent-4-enoic acid.

Molecular Properties

Compound Name2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepent-4-enoic acid
PubChem CID24795463
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepent-4-enoic acid
SMILESC=CC(=C)C(NC(=O)CC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C11H16N2O5/c1-3-6(2)9(11(17)18)13-8(14)5-4-7(12)10(15)16/h3,7,9H,1-2,4-5,12H2,(H,13,14)(H,15,16)(H,17,18)/t7-,9?/m0/s1
InChIKeyOYFFZHHPKZICIV-JAVCKPHESA-N
XLogP-0.51
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepent-4-enoic acid;2,2,2-trifluoroacetic acid
CID 24795462
(2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 6993184
2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid
CID 22152590
2-[(4-amino-4-carboxybutanoyl)amino]butanedioic acid
CID 5122061
(2S)-2-amino-5-[[(1R)-2-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]-1-carboxyethyl]amino]-5-oxopentanoic acid
CID 14253338
2-amino-5-[(1-carboxy-2-prop-2-enylsulfanylethyl)amino]-5-oxopentanoic acid
CID 11193907
(2S)-2-amino-5-formamido-5-oxopentanoic acid
CID 54145415
(2S)-2-amino-5-[[(1R)-1-carboxy-2-[(R)-prop-2-enylsulfinyl]ethyl]amino]-5-oxopentanoic acid
CID 162946192
2-amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid
CID 174544229
(2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid
CID 129361384
(2S)-2-[(4-amino-4-carboxybutanoyl)amino]pentanedioic acid
CID 87289628
(2R)-2-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-amino-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 71728417

Frequently Asked Questions

What is the IUPAC name of 2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepent-4-enoic acid?
The IUPAC name of 2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepent-4-enoic acid (CID 24795463) is 2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepent-4-enoic acid.
What is the SMILES notation for 2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepent-4-enoic acid?
The canonical SMILES for 2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepent-4-enoic acid is C=CC(=C)C(NC(=O)CC[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of 2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepent-4-enoic acid?
The InChIKey is OYFFZHHPKZICIV-JAVCKPHESA-N. The full InChI is InChI=1S/C11H16N2O5/c1-3-6(2)9(11(17)18)13-8(14)5-4-7(12)10(15)16/h3,7,9H,1-2,4-5,12H2,(H,13,14)(H,15,16)(H,17,18)/t7-,9?/m0/s1.
What are the key properties of 2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepent-4-enoic acid?
2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepent-4-enoic acid has a molecular weight of 256.26 g/mol, XLogP of -0.51, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepent-4-enoic acid is sourced from PubChem (CID 24795463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).