(2R)-3-hydroxy-2-(propoxycarbonylamino)propanoic acid

C7H13NO5 — CID 88909691

IUPAC(2R)-3-hydroxy-2-(propoxycarbonylamino)propanoic acid
SMILESCCCOC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C7H13NO5/c1-2-3-13-7(12)8-5(4-9)6(10)11/h5,9H,2-4H2,1H3,(H,8,12)(H,10,11)/t5-/m1/s1
InChIKeySTYYXHXQMICGLA-RXMQYKEDSA-N
MW191.18 g/mol
LogP-0.43
Rot. Bonds5

About (2R)-3-hydroxy-2-(propoxycarbonylamino)propanoic acid

(2R)-3-hydroxy-2-(propoxycarbonylamino)propanoic acid (PubChem CID 88909691) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-(propoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-(propoxycarbonylamino)propanoic acid
PubChem CID88909691
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name(2R)-3-hydroxy-2-(propoxycarbonylamino)propanoic acid
SMILESCCCOC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C7H13NO5/c1-2-3-13-7(12)8-5(4-9)6(10)11/h5,9H,2-4H2,1H3,(H,8,12)(H,10,11)/t5-/m1/s1
InChIKeySTYYXHXQMICGLA-RXMQYKEDSA-N
XLogP-0.43
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propoxycarbonylamino)butanedioic acid
CID 142164460
3-amino-2-(propoxycarbonylamino)propanoic acid
CID 54022488
3-(methyldisulfanyl)-2-(propoxycarbonylamino)propanoic acid
CID 89040713
(2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid
CID 80750974
methyl 2-(butoxycarbonylamino)-3-hydroxypropanoate
CID 87374830
propyl N-(dihydroxymethyl)carbamate
CID 174469306
2-(butoxycarbonylamino)octanoic acid
CID 87548518
(2R)-2-(butoxycarbonylamino)-3-methylsulfanylpropanoic acid
CID 89488199
3-hydroxy-2-(propanoylamino)propanoic acid
CID 11845678
3-hydroxy-2-[2-(2-methylbenzoyl)oxyethoxycarbonylamino]propanoic acid
CID 69029736
acetyl fluoride;(2S)-2-(butoxycarbonylamino)butanedioic acid
CID 118383865
(2S)-2-(2-trimethylsilylethoxycarbonylamino)butanoic acid
CID 156620019

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-(propoxycarbonylamino)propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-(propoxycarbonylamino)propanoic acid (CID 88909691) is (2R)-3-hydroxy-2-(propoxycarbonylamino)propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-(propoxycarbonylamino)propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-(propoxycarbonylamino)propanoic acid is CCCOC(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-(propoxycarbonylamino)propanoic acid?
The InChIKey is STYYXHXQMICGLA-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H13NO5/c1-2-3-13-7(12)8-5(4-9)6(10)11/h5,9H,2-4H2,1H3,(H,8,12)(H,10,11)/t5-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-(propoxycarbonylamino)propanoic acid?
(2R)-3-hydroxy-2-(propoxycarbonylamino)propanoic acid has a molecular weight of 191.18 g/mol, XLogP of -0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-(propoxycarbonylamino)propanoic acid is sourced from PubChem (CID 88909691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).