2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanediamide

C12H16FN3O2 — CID 81380522

IUPAC2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanediamide
SMILESC[C@@H](NC(=O)C(N)CC(N)=O)c1ccccc1F
InChIInChI=1S/C12H16FN3O2/c1-7(8-4-2-3-5-9(8)13)16-12(18)10(14)6-11(15)17/h2-5,7,10H,6,14H2,1H3,(H2,15,17)(H,16,18)/t7-,10?/m1/s1
InChIKeyCJDNJLKJYDZHQJ-PVSHWOEXSA-N
MW253.28 g/mol
LogP0.21
Rot. Bonds5

About 2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanediamide

2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanediamide (PubChem CID 81380522) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanediamide
PubChem CID81380522
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanediamide
SMILESC[C@@H](NC(=O)C(N)CC(N)=O)c1ccccc1F
InChIInChI=1S/C12H16FN3O2/c1-7(8-4-2-3-5-9(8)13)16-12(18)10(14)6-11(15)17/h2-5,7,10H,6,14H2,1H3,(H2,15,17)(H,16,18)/t7-,10?/m1/s1
InChIKeyCJDNJLKJYDZHQJ-PVSHWOEXSA-N
XLogP0.21
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methylpentanamide
CID 81377311
(2R)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanamide
CID 81377906
2-amino-N-[1-(2-methylphenyl)ethyl]butanediamide
CID 61259896
2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-phenylpropanamide
CID 81374394
(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-3-phenylpropanamide
CID 61178322
(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 78972216
2-amino-N-[1-(2-methoxyphenyl)ethyl]butanediamide;hydrochloride
CID 119955956
3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide
CID 60927923
(2R)-4-amino-2-[1-(2-fluorophenyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 107826890
(2S)-4-amino-2-[1-(2-fluorophenyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 63718664
2-chloro-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 43346434
2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 16770602

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanediamide?
The IUPAC name of 2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanediamide (CID 81380522) is 2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanediamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanediamide?
The canonical SMILES for 2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanediamide is C[C@@H](NC(=O)C(N)CC(N)=O)c1ccccc1F.
What is the InChIKey of 2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanediamide?
The InChIKey is CJDNJLKJYDZHQJ-PVSHWOEXSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-7(8-4-2-3-5-9(8)13)16-12(18)10(14)6-11(15)17/h2-5,7,10H,6,14H2,1H3,(H2,15,17)(H,16,18)/t7-,10?/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanediamide?
2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanediamide has a molecular weight of 253.28 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanediamide is sourced from PubChem (CID 81380522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).