(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-methyl-2-(undec-10-enoylamino)pentanoic acid
CID 10542049
(2S)-3-hydroxy-2-[[(Z)-icos-11-enoyl]amino]propanoic acid
CID 171117019
2-(7-aminoheptanoylamino)-3-hydroxypropanoic acid
CID 61157743
(2S)-2-(hexadecanoylamino)-3-hydroxypropanoic acid
CID 6453686
(2S)-2-(dodecanoylamino)-3-hydroxypropanoic acid;hydrate
CID 71347237
18-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 129026855
3-phenyl-2-[[3-phenyl-2-(undec-10-enoylamino)propanoyl]amino]propanoic acid
CID 70673825
(2S)-4-hydroxy-2-(7-oxoheptanoylamino)butanoic acid
CID 91574406
disodium;(2S)-2-(undec-10-enoylamino)pentanedioate
CID 169423507
2-[[(Z)-11-hydroxyundec-8-enoyl]amino]butanedioic acid
CID 89058879
3-hydroxy-2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]propanoic acid
CID 5283390
(2S)-2-(hex-5-enoylamino)-3-phenylpropanoic acid
CID 119366534

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).