5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoic acid

C13H17NO5 — CID 14075005

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

About 5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoic acid

5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoic acid (PubChem CID 14075005) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoic acid
PubChem CID14075005
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoic acid
SMILESO=C(NC(CCCO)C(=O)O)OCc1ccccc1
InChIInChI=1S/C13H17NO5/c15-8-4-7-11(12(16)17)14-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11,15H,4,7-9H2,(H,14,18)(H,16,17)
InChIKeyWVGZTPNRQRMWEM-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

methyl (2R)-5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate
CID 66909168
5-fluoro-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 18466026
benzyl N-[(1S)-1,4-dihydroxybutyl]carbamate
CID 70402613
4-iodo-2-(phenylmethoxycarbonylamino)butanoic acid
CID 18788291
(2S)-5-(benzylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 18346614
(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanoic acid
CID 10819296
(2S)-4-aminooxy-2-(phenylmethoxycarbonylamino)butanoic acid
CID 165477509
5-ethylsulfonyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 103690229
6-ethoxy-6-oxo-2-(phenylmethoxycarbonylamino)hexanoic acid
CID 102124237
(2S)-4-(methylamino)-2-(phenylmethoxycarbonylamino)butanoic acid
CID 143421754
4-(methylamino)-2-(phenylmethoxycarbonylamino)butanoic acid
CID 66926655
(3S)-4-[(6-hydroxy-2-oxohexan-3-yl)amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 129271312

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of 5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoic acid (CID 14075005) is 5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for 5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for 5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoic acid is O=C(NC(CCCO)C(=O)O)OCc1ccccc1.
What is the InChIKey of 5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoic acid?
The InChIKey is WVGZTPNRQRMWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c15-8-4-7-11(12(16)17)14-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11,15H,4,7-9H2,(H,14,18)(H,16,17).
What are the key properties of 5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoic acid?
5-hydroxy-2-(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-2-(phenylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 14075005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).