(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide

C12H16ClN3O2 — CID 83340796

IUPAC(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide
SMILESNC(=O)C[C@@H](N)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN3O2/c13-9-3-1-8(2-4-9)5-6-16-12(18)10(14)7-11(15)17/h1-4,10H,5-7,14H2,(H2,15,17)(H,16,18)/t10-/m1/s1
InChIKeyCGOBIGORGLGQEK-SNVBAGLBSA-N
MW269.73 g/mol
LogP0.20
Rot. Bonds6

About (2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide

(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide (PubChem CID 83340796) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide
PubChem CID83340796
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide
SMILESNC(=O)C[C@@H](N)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN3O2/c13-9-3-1-8(2-4-9)5-6-16-12(18)10(14)7-11(15)17/h1-4,10H,5-7,14H2,(H2,15,17)(H,16,18)/t10-/m1/s1
InChIKeyCGOBIGORGLGQEK-SNVBAGLBSA-N
XLogP0.20
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide
CID 60847585
4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid
CID 64890887
(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 70832630
(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide
CID 162388053
2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119263480
2-amino-N-[2-(3,5-difluorophenyl)ethyl]butanediamide
CID 55093625
2-amino-N-(4-chlorophenyl)butanediamide
CID 60846546
(2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide
CID 92864169
2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 103247068
N-[2-(4-chlorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925228
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide?
The IUPAC name of (2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide (CID 83340796) is (2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide?
The canonical SMILES for (2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide is NC(=O)C[C@@H](N)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide?
The InChIKey is CGOBIGORGLGQEK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-9-3-1-8(2-4-9)5-6-16-12(18)10(14)7-11(15)17/h1-4,10H,5-7,14H2,(H2,15,17)(H,16,18)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide?
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide has a molecular weight of 269.73 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide is sourced from PubChem (CID 83340796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).