2-[[(3R)-3-hydroxytetradecanoyl]amino]acetic acid

C16H31NO4 — CID 10590423

IUPAC2-[[(3R)-3-hydroxytetradecanoyl]amino]acetic acid
SMILESCCCCCCCCCCC[C@@H](O)CC(=O)NCC(=O)O
InChIInChI=1S/C16H31NO4/c1-2-3-4-5-6-7-8-9-10-11-14(18)12-15(19)17-13-16(20)21/h14,18H,2-13H2,1H3,(H,17,19)(H,20,21)/t14-/m1/s1
InChIKeyJOZKALVPSJDERT-CQSZACIVSA-N
MW301.43 g/mol
LogP2.86
Rot. Bonds14

About 2-[[(3R)-3-hydroxytetradecanoyl]amino]acetic acid

2-[[(3R)-3-hydroxytetradecanoyl]amino]acetic acid (PubChem CID 10590423) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-[[(3R)-3-hydroxytetradecanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(3R)-3-hydroxytetradecanoyl]amino]acetic acid
PubChem CID10590423
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Name2-[[(3R)-3-hydroxytetradecanoyl]amino]acetic acid
SMILESCCCCCCCCCCC[C@@H](O)CC(=O)NCC(=O)O
InChIInChI=1S/C16H31NO4/c1-2-3-4-5-6-7-8-9-10-11-14(18)12-15(19)17-13-16(20)21/h14,18H,2-13H2,1H3,(H,17,19)(H,20,21)/t14-/m1/s1
InChIKeyJOZKALVPSJDERT-CQSZACIVSA-N
XLogP2.86
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxyoctadecanoic acid
CID 158545826
3-hydroxytetracosanoic acid
CID 5312781
N-(3-aminopropyl)-3-hydroxytetradecanamide
CID 139771508
3-hydroxyoctanoic acid
CID 159718411
3-hydroxy-N-octadecan-2-ylhexadecanamide
CID 174499474
(Z)-3-hydroxyhexadec-10-enoic acid
CID 164665006
2-hexyl-5-hydroxy-3-oxohexadecanoic acid
CID 18546941
1-[bis(1-hydroxyethyl)amino]ethanol;2-(tetradecanoylamino)acetic acid
CID 87532133
2-(3-hydroxyoctanoylamino)pentanedioic acid
CID 90258173
potassium;hydride;2-(octadecanoylamino)acetic acid
CID 174739574
sodium;2-(hexadecanoylamino)acetic acid;hydride
CID 173207705
(3R,5R)-3,5-dihydroxydocosanoic acid
CID 102203188

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-hydroxytetradecanoyl]amino]acetic acid?
The IUPAC name of 2-[[(3R)-3-hydroxytetradecanoyl]amino]acetic acid (CID 10590423) is 2-[[(3R)-3-hydroxytetradecanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(3R)-3-hydroxytetradecanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(3R)-3-hydroxytetradecanoyl]amino]acetic acid is CCCCCCCCCCC[C@@H](O)CC(=O)NCC(=O)O.
What is the InChIKey of 2-[[(3R)-3-hydroxytetradecanoyl]amino]acetic acid?
The InChIKey is JOZKALVPSJDERT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H31NO4/c1-2-3-4-5-6-7-8-9-10-11-14(18)12-15(19)17-13-16(20)21/h14,18H,2-13H2,1H3,(H,17,19)(H,20,21)/t14-/m1/s1.
What are the key properties of 2-[[(3R)-3-hydroxytetradecanoyl]amino]acetic acid?
2-[[(3R)-3-hydroxytetradecanoyl]amino]acetic acid has a molecular weight of 301.43 g/mol, XLogP of 2.86, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-hydroxytetradecanoyl]amino]acetic acid is sourced from PubChem (CID 10590423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).