(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide

C13H17ClN2O2 — CID 118786770

IUPAC(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide
SMILESN[C@@H](CO)C(=O)NCC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H17ClN2O2/c14-10-3-1-9(2-4-10)13(5-6-13)8-16-12(18)11(15)7-17/h1-4,11,17H,5-8,15H2,(H,16,18)/t11-/m0/s1
InChIKeyMTFGXYXYBDZJFQ-NSHDSACASA-N
MW268.74 g/mol
LogP0.81
Rot. Bonds5

About (2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide

(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide (PubChem CID 118786770) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide
PubChem CID118786770
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide
SMILESN[C@@H](CO)C(=O)NCC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H17ClN2O2/c14-10-3-1-9(2-4-10)13(5-6-13)8-16-12(18)11(15)7-17/h1-4,11,17H,5-8,15H2,(H,16,18)/t11-/m0/s1
InChIKeyMTFGXYXYBDZJFQ-NSHDSACASA-N
XLogP0.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120988365
2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride
CID 119772688
(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303662
(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(1-formylpiperidin-4-yl)acetamide
CID 166932367
1-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119317240
(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpentanamide
CID 110482473
2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 119293600
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylguanidine;hydroiodide
CID 110935484
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea
CID 113090728
2-amino-3-hydroxy-N-[[1-(2-methylsulfanylphenyl)cyclopropyl]methyl]propanamide
CID 110480743
(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 119293598
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide
CID 119317231

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide?
The IUPAC name of (2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide (CID 118786770) is (2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide.
What is the SMILES notation for (2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide?
The canonical SMILES for (2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide is N[C@@H](CO)C(=O)NCC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of (2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide?
The InChIKey is MTFGXYXYBDZJFQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-10-3-1-9(2-4-10)13(5-6-13)8-16-12(18)11(15)7-17/h1-4,11,17H,5-8,15H2,(H,16,18)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide?
(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide has a molecular weight of 268.74 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide is sourced from PubChem (CID 118786770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).