(2S)-3-hydroxy-2-(undec-10-enoylamino)propanoic acid

C14H25NO4 — CID 10683528

IUPAC(2S)-3-hydroxy-2-(undec-10-enoylamino)propanoic acid
SMILESC=CCCCCCCCCC(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C14H25NO4/c1-2-3-4-5-6-7-8-9-10-13(17)15-12(11-16)14(18)19/h2,12,16H,1,3-11H2,(H,15,17)(H,18,19)/t12-/m0/s1
InChIKeyZBGRPFNYZLNZSJ-LBPRGKRZSA-N
MW271.36 g/mol
LogP1.85
Rot. Bonds12

About (2S)-3-hydroxy-2-(undec-10-enoylamino)propanoic acid

(2S)-3-hydroxy-2-(undec-10-enoylamino)propanoic acid (PubChem CID 10683528) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-(undec-10-enoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-(undec-10-enoylamino)propanoic acid
PubChem CID10683528
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name(2S)-3-hydroxy-2-(undec-10-enoylamino)propanoic acid
SMILESC=CCCCCCCCCC(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C14H25NO4/c1-2-3-4-5-6-7-8-9-10-13(17)15-12(11-16)14(18)19/h2,12,16H,1,3-11H2,(H,15,17)(H,18,19)/t12-/m0/s1
InChIKeyZBGRPFNYZLNZSJ-LBPRGKRZSA-N
XLogP1.85
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-(undec-10-enoylamino)propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-(undec-10-enoylamino)propanoic acid (CID 10683528) is (2S)-3-hydroxy-2-(undec-10-enoylamino)propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-(undec-10-enoylamino)propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-(undec-10-enoylamino)propanoic acid is C=CCCCCCCCCC(=O)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-3-hydroxy-2-(undec-10-enoylamino)propanoic acid?
The InChIKey is ZBGRPFNYZLNZSJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25NO4/c1-2-3-4-5-6-7-8-9-10-13(17)15-12(11-16)14(18)19/h2,12,16H,1,3-11H2,(H,15,17)(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-(undec-10-enoylamino)propanoic acid?
(2S)-3-hydroxy-2-(undec-10-enoylamino)propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.85, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-(undec-10-enoylamino)propanoic acid is sourced from PubChem (CID 10683528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).