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

C11H18N2O5 — CID 162915946

IUPAC(2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepentanoic acid
SMILESC=C(CC)[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C11H18N2O5/c1-3-6(2)9(11(17)18)13-8(14)5-4-7(12)10(15)16/h7,9H,2-5,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t7-,9-/m0/s1
InChIKeyVMFRAEJIZGHFMQ-CBAPKCEASA-N
MW258.27 g/mol
LogP-0.29
Rot. Bonds8

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

(2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepentanoic acid (PubChem CID 162915946) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is (2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepentanoic acid
PubChem CID162915946
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name(2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepentanoic acid
SMILESC=C(CC)[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C11H18N2O5/c1-3-6(2)9(11(17)18)13-8(14)5-4-7(12)10(15)16/h7,9H,2-5,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t7-,9-/m0/s1
InChIKeyVMFRAEJIZGHFMQ-CBAPKCEASA-N
XLogP-0.29
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepentanoic acid?
The IUPAC name of (2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepentanoic acid (CID 162915946) is (2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepentanoic acid.
What is the SMILES notation for (2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepentanoic acid?
The canonical SMILES for (2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepentanoic acid is C=C(CC)[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepentanoic acid?
The InChIKey is VMFRAEJIZGHFMQ-CBAPKCEASA-N. The full InChI is InChI=1S/C11H18N2O5/c1-3-6(2)9(11(17)18)13-8(14)5-4-7(12)10(15)16/h7,9H,2-5,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/t7-,9-/m0/s1.
What are the key properties of (2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepentanoic acid?
(2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepentanoic acid has a molecular weight of 258.27 g/mol, XLogP of -0.29, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepentanoic acid is sourced from PubChem (CID 162915946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).