5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid

C13H17NO5 — CID 129219869

IUPAC5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid
SMILESO=C(O)CC(CCO)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H17NO5/c15-7-6-11(8-12(16)17)14-13(18)19-9-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H,14,18)(H,16,17)
InChIKeyAYSQGCULRYRKNK-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.14
Rot. Bonds7

About 5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid

5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid (PubChem CID 129219869) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid
PubChem CID129219869
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid
SMILESO=C(O)CC(CCO)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H17NO5/c15-7-6-11(8-12(16)17)14-13(18)19-9-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H,14,18)(H,16,17)
InChIKeyAYSQGCULRYRKNK-UHFFFAOYSA-N
XLogP1.14
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(3S)-1-hydroxy-5-oxohexan-3-yl]carbamate
CID 59066093
(3S)-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 102254929
5-oxo-5-phenylmethoxy-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 131859948
5-amino-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 152765825
benzyl N-(1-hydroxyoctan-3-yl)carbamate
CID 121391580
(3S)-3,7-bis(phenylmethoxycarbonylamino)heptanoic acid
CID 11418942
(3S)-5-methyl-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 11265942
[(2R)-3-carboxy-2-(phenylmethoxycarbonylamino)propyl]-trimethylazanium
CID 13393135
6-[(2-methylpropan-2-yl)oxy]-6-oxo-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 130469519
benzyl N-(1-hydroxy-8,8-dimethyl-7-oxononan-5-yl)carbamate
CID 101132164
benzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate
CID 10380925
(3R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)heptanoic acid
CID 135375312

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of 5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid (CID 129219869) is 5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for 5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for 5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid is O=C(O)CC(CCO)NC(=O)OCc1ccccc1.
What is the InChIKey of 5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid?
The InChIKey is AYSQGCULRYRKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c15-7-6-11(8-12(16)17)14-13(18)19-9-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H,14,18)(H,16,17).
What are the key properties of 5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid?
5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid has a molecular weight of 267.28 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 129219869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).