3-hydroxy-7-(phenylmethoxycarbonylamino)heptanoic acid

C15H21NO5 — CID 15916886

IUPAC3-hydroxy-7-(phenylmethoxycarbonylamino)heptanoic acid
SMILESO=C(O)CC(O)CCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO5/c17-13(10-14(18)19)8-4-5-9-16-15(20)21-11-12-6-2-1-3-7-12/h1-3,6-7,13,17H,4-5,8-11H2,(H,16,20)(H,18,19)
InChIKeyFADMHTYRZPLWIG-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.92
Rot. Bonds9

About 3-hydroxy-7-(phenylmethoxycarbonylamino)heptanoic acid

3-hydroxy-7-(phenylmethoxycarbonylamino)heptanoic acid (PubChem CID 15916886) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 3-hydroxy-7-(phenylmethoxycarbonylamino)heptanoic acid.

Molecular Properties

Compound Name3-hydroxy-7-(phenylmethoxycarbonylamino)heptanoic acid
PubChem CID15916886
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name3-hydroxy-7-(phenylmethoxycarbonylamino)heptanoic acid
SMILESO=C(O)CC(O)CCCCNC(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO5/c17-13(10-14(18)19)8-4-5-9-16-15(20)21-11-12-6-2-1-3-7-12/h1-3,6-7,13,17H,4-5,8-11H2,(H,16,20)(H,18,19)
InChIKeyFADMHTYRZPLWIG-UHFFFAOYSA-N
XLogP1.92
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-hydroxy-7-(phenylmethoxycarbonylamino)heptanoic 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

(3S)-3,7-bis(phenylmethoxycarbonylamino)heptanoic acid
CID 11418942
2-[[(1S)-1-carboxy-5-(phenylmethoxycarbonylamino)pentyl]amino]butanedioic acid
CID 159507037
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-(6-methylheptyl)carbamate
CID 59918495
bis(2-amino-6-(phenylmethoxycarbonylamino)hexanoic acid);copper
CID 10579765
(2S)-2-amino-7-(phenylmethoxycarbonylamino)heptanoic acid
CID 23561663
ethyl 2-hydroxy-6-(phenylmethoxycarbonylamino)hexanoate
CID 21392364
benzyl N-[(2S)-1-hydrazinyl-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamate
CID 92526851
(2R)-2-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid;propane
CID 158989140
benzyl N-(3,4-dihydroxybutyl)carbamate
CID 66736526
benzyl (2R)-2-[[(2S)-2-amino-6-(phenylmethoxycarbonylamino)hexanoyl]amino]propanoate;hydrochloride
CID 70414486

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-(phenylmethoxycarbonylamino)heptanoic acid?
The IUPAC name of 3-hydroxy-7-(phenylmethoxycarbonylamino)heptanoic acid (CID 15916886) is 3-hydroxy-7-(phenylmethoxycarbonylamino)heptanoic acid.
What is the SMILES notation for 3-hydroxy-7-(phenylmethoxycarbonylamino)heptanoic acid?
The canonical SMILES for 3-hydroxy-7-(phenylmethoxycarbonylamino)heptanoic acid is O=C(O)CC(O)CCCCNC(=O)OCc1ccccc1.
What is the InChIKey of 3-hydroxy-7-(phenylmethoxycarbonylamino)heptanoic acid?
The InChIKey is FADMHTYRZPLWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c17-13(10-14(18)19)8-4-5-9-16-15(20)21-11-12-6-2-1-3-7-12/h1-3,6-7,13,17H,4-5,8-11H2,(H,16,20)(H,18,19).
What are the key properties of 3-hydroxy-7-(phenylmethoxycarbonylamino)heptanoic acid?
3-hydroxy-7-(phenylmethoxycarbonylamino)heptanoic acid has a molecular weight of 295.33 g/mol, XLogP of 1.92, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-(phenylmethoxycarbonylamino)heptanoic acid is sourced from PubChem (CID 15916886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).