2-hydroxy-5-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid

C15H21NO5 — CID 12647876

IUPAC2-hydroxy-5-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid
SMILESCC(CCC(O)C(=O)O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO5/c1-11(7-8-13(17)14(18)19)9-16-15(20)21-10-12-5-3-2-4-6-12/h2-6,11,13,17H,7-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyHRXSWNHLRIEQRQ-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.77
Rot. Bonds8

About 2-hydroxy-5-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid

2-hydroxy-5-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid (PubChem CID 12647876) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid.

Molecular Properties

Compound Name2-hydroxy-5-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid
PubChem CID12647876
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name2-hydroxy-5-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid
SMILESCC(CCC(O)C(=O)O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO5/c1-11(7-8-13(17)14(18)19)9-16-15(20)21-10-12-5-3-2-4-6-12/h2-6,11,13,17H,7-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyHRXSWNHLRIEQRQ-UHFFFAOYSA-N
XLogP1.77
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(2,6-dimethylhept-5-enyl)carbamate
CID 19049058
benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate
CID 118167943
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
benzyl N-[(2R)-3-cyano-2-methylpropyl]carbamate
CID 70119870
benzyl N-[(3R)-3-methyl-4-(2-methylpropylamino)butyl]carbamate
CID 134268781
[2-hydroxy-1-[3-methyl-4-(phenylmethoxycarbonylamino)butyl]sulfonylpropyl] acetate
CID 67514451
benzyl N-[(2S)-3-(dimethylamino)-2-hydroxy-3-oxopropyl]carbamate;(2S)-2-hydroxy-3-(phenylmethoxycarbonylamino)propanoic acid;N-methylmethanamine;hydrochloride
CID 157087609
benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
CID 69087591
benzyl N-[2-methyl-4-(1,3-thiazol-2-yl)butyl]carbamate
CID 57242368
(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67585772
2-hydroxypropyl 2-(phenylmethoxycarbonylamino)acetate
CID 151400994

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid?
The IUPAC name of 2-hydroxy-5-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid (CID 12647876) is 2-hydroxy-5-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid.
What is the SMILES notation for 2-hydroxy-5-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid?
The canonical SMILES for 2-hydroxy-5-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid is CC(CCC(O)C(=O)O)CNC(=O)OCc1ccccc1.
What is the InChIKey of 2-hydroxy-5-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid?
The InChIKey is HRXSWNHLRIEQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-11(7-8-13(17)14(18)19)9-16-15(20)21-10-12-5-3-2-4-6-12/h2-6,11,13,17H,7-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-hydroxy-5-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid?
2-hydroxy-5-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid has a molecular weight of 295.33 g/mol, XLogP of 1.77, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid is sourced from PubChem (CID 12647876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).