(2S)-2-amino-3-hydroxypropanoic acid;benzyl carbamate

C11H16N2O5 — CID 67874309

IUPAC(2S)-2-amino-3-hydroxypropanoic acid;benzyl carbamate
SMILESNC(=O)OCc1ccccc1.N[C@@H](CO)C(=O)O
InChIInChI=1S/C8H9NO2.C3H7NO3/c9-8(10)11-6-7-4-2-1-3-5-7;4-2(1-5)3(6)7/h1-5H,6H2,(H2,9,10);2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1
InChIKeyAXBLLYURCKLNNC-WNQIDUERSA-N
MW256.26 g/mol
LogP-0.33
Rot. Bonds4

About (2S)-2-amino-3-hydroxypropanoic acid;benzyl carbamate

(2S)-2-amino-3-hydroxypropanoic acid;benzyl carbamate (PubChem CID 67874309) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxypropanoic acid;benzyl carbamate.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxypropanoic acid;benzyl carbamate
PubChem CID67874309
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name(2S)-2-amino-3-hydroxypropanoic acid;benzyl carbamate
SMILESNC(=O)OCc1ccccc1.N[C@@H](CO)C(=O)O
InChIInChI=1S/C8H9NO2.C3H7NO3/c9-8(10)11-6-7-4-2-1-3-5-7;4-2(1-5)3(6)7/h1-5H,6H2,(H2,9,10);2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1
InChIKeyAXBLLYURCKLNNC-WNQIDUERSA-N
XLogP-0.33
TPSA135.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl carbamate;heptahydrochloride
CID 141351835
(2S)-2-amino-3-hydroxypropanoic acid;benzyl (2S)-2-(dibenzylamino)-3-hydroxypropanoate
CID 157386545
2-amino-3-(hydroxymethyl)-4-oxo-4-phenylmethoxybutanoic acid
CID 174396702
(2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid
CID 57323834
2-amino-3-phenylmethoxycarbonyloxypropanoic acid
CID 67008928
(2S)-2-amino-3-hydroxypropanoic acid;1-phenylpropan-2-amine
CID 66730568
(2R)-2-amino-4-phenylmethoxybutanoic acid
CID 51340689
(6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid
CID 70487944
(4-phenylphenyl)methyl carbamate
CID 123751479
2-amino-3-hydroxypropanoic acid;fluorobenzene
CID 175128385
(2R)-2-amino-3-phenylmethoxycarbonylsulfanylpropanoic acid;hydrochloride
CID 46735194
benzyl carbamate;2-phenylsulfanylpropanoic acid
CID 18690490

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;benzyl carbamate?
The IUPAC name of (2S)-2-amino-3-hydroxypropanoic acid;benzyl carbamate (CID 67874309) is (2S)-2-amino-3-hydroxypropanoic acid;benzyl carbamate.
What is the SMILES notation for (2S)-2-amino-3-hydroxypropanoic acid;benzyl carbamate?
The canonical SMILES for (2S)-2-amino-3-hydroxypropanoic acid;benzyl carbamate is NC(=O)OCc1ccccc1.N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-hydroxypropanoic acid;benzyl carbamate?
The InChIKey is AXBLLYURCKLNNC-WNQIDUERSA-N. The full InChI is InChI=1S/C8H9NO2.C3H7NO3/c9-8(10)11-6-7-4-2-1-3-5-7;4-2(1-5)3(6)7/h1-5H,6H2,(H2,9,10);2,5H,1,4H2,(H,6,7)/t;2-/m.0/s1.
What are the key properties of (2S)-2-amino-3-hydroxypropanoic acid;benzyl carbamate?
(2S)-2-amino-3-hydroxypropanoic acid;benzyl carbamate has a molecular weight of 256.26 g/mol, XLogP of -0.33, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxypropanoic acid;benzyl carbamate is sourced from PubChem (CID 67874309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).