cyclopropylmethyl (2R)-2-amino-3-hydroxypropanoate

C7H13NO3 — CID 12993308

IUPACcyclopropylmethyl (2R)-2-amino-3-hydroxypropanoate
SMILESN[C@H](CO)C(=O)OCC1CC1
InChIInChI=1S/C7H13NO3/c8-6(3-9)7(10)11-4-5-1-2-5/h5-6,9H,1-4,8H2/t6-/m1/s1
InChIKeyNFCXSPWDOSFOKR-ZCFIWIBFSA-N
MW159.19 g/mol
LogP-0.74
Rot. Bonds4

About cyclopropylmethyl (2R)-2-amino-3-hydroxypropanoate

cyclopropylmethyl (2R)-2-amino-3-hydroxypropanoate (PubChem CID 12993308) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is cyclopropylmethyl (2R)-2-amino-3-hydroxypropanoate.

Molecular Properties

Compound Namecyclopropylmethyl (2R)-2-amino-3-hydroxypropanoate
PubChem CID12993308
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Namecyclopropylmethyl (2R)-2-amino-3-hydroxypropanoate
SMILESN[C@H](CO)C(=O)OCC1CC1
InChIInChI=1S/C7H13NO3/c8-6(3-9)7(10)11-4-5-1-2-5/h5-6,9H,1-4,8H2/t6-/m1/s1
InChIKeyNFCXSPWDOSFOKR-ZCFIWIBFSA-N
XLogP-0.74
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cyclopropylmethyl (2R)-2-amino-3-hydroxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopropylmethyl 2-amino-4-hydroxybutanoate
CID 61243530
cyclopropylmethyl (2S)-2-aminopentanoate
CID 107565685
cyclopentylmethyl 2-aminobutanoate
CID 66322645
cyclopropylmethyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 104909688
oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate
CID 107825386
oxan-2-ylmethyl 2-amino-3-hydroxypropanoate
CID 61279858
cyclopentylmethyl (2S)-2-aminopentanoate
CID 107565785
(2S)-2-amino-N-(cyclopropylmethyl)-3-hydroxypropanamide
CID 70262272
cyclohexylmethyl (2R)-2-aminopentanoate
CID 107565760
oxan-4-ylmethyl (2S)-2-amino-3-sulfanylpropanoate
CID 107774168
cyclopropylmethyl 2-sulfanylpropanoate
CID 107018198
cyclopropylmethyl 2-amino-3-methylpentanoate
CID 61150459

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl (2R)-2-amino-3-hydroxypropanoate?
The IUPAC name of cyclopropylmethyl (2R)-2-amino-3-hydroxypropanoate (CID 12993308) is cyclopropylmethyl (2R)-2-amino-3-hydroxypropanoate.
What is the SMILES notation for cyclopropylmethyl (2R)-2-amino-3-hydroxypropanoate?
The canonical SMILES for cyclopropylmethyl (2R)-2-amino-3-hydroxypropanoate is N[C@H](CO)C(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl (2R)-2-amino-3-hydroxypropanoate?
The InChIKey is NFCXSPWDOSFOKR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NO3/c8-6(3-9)7(10)11-4-5-1-2-5/h5-6,9H,1-4,8H2/t6-/m1/s1.
What are the key properties of cyclopropylmethyl (2R)-2-amino-3-hydroxypropanoate?
cyclopropylmethyl (2R)-2-amino-3-hydroxypropanoate has a molecular weight of 159.19 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl (2R)-2-amino-3-hydroxypropanoate is sourced from PubChem (CID 12993308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).