[2-amino-3-(4-fluorophenyl)propyl]-(2-amino-2-oxoethyl)carbamic acid

C12H16FN3O3 — CID 118340477

IUPAC[2-amino-3-(4-fluorophenyl)propyl]-(2-amino-2-oxoethyl)carbamic acid
SMILESNC(=O)CN(CC(N)Cc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C12H16FN3O3/c13-9-3-1-8(2-4-9)5-10(14)6-16(12(18)19)7-11(15)17/h1-4,10H,5-7,14H2,(H2,15,17)(H,18,19)
InChIKeyJSQJHYGBSJPHCJ-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.16
Rot. Bonds6

About [2-amino-3-(4-fluorophenyl)propyl]-(2-amino-2-oxoethyl)carbamic acid

[2-amino-3-(4-fluorophenyl)propyl]-(2-amino-2-oxoethyl)carbamic acid (PubChem CID 118340477) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is [2-amino-3-(4-fluorophenyl)propyl]-(2-amino-2-oxoethyl)carbamic acid.

Molecular Properties

Compound Name[2-amino-3-(4-fluorophenyl)propyl]-(2-amino-2-oxoethyl)carbamic acid
PubChem CID118340477
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name[2-amino-3-(4-fluorophenyl)propyl]-(2-amino-2-oxoethyl)carbamic acid
SMILESNC(=O)CN(CC(N)Cc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C12H16FN3O3/c13-9-3-1-8(2-4-9)5-10(14)6-16(12(18)19)7-11(15)17/h1-4,10H,5-7,14H2,(H2,15,17)(H,18,19)
InChIKeyJSQJHYGBSJPHCJ-UHFFFAOYSA-N
XLogP0.16
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-2-oxoethyl)-(2-amino-3-phenylpropyl)carbamic acid
CID 139450675
[(2S)-2-amino-3-(4-fluorophenyl)propyl] carbamate;hydrochloride
CID 70099504
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine
CID 22958965
2-[(4-fluorophenyl)methyl]propanedioic acid
CID 15120643
3-[(2-amino-2-oxoethyl)-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82326758
2-bromo-3-(4-fluorophenyl)propanamide
CID 75480645
N',N'-bis[(4-fluorophenyl)methyl]propanediamide
CID 69286403
(2R)-2-amino-N,N-bis(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide
CID 104905118
ethyl 3-amino-4-(4-fluorophenyl)butanoate
CID 82351777
[(2R)-2-amino-3-phenylpropyl]-methylcarbamic acid
CID 150832768
(3-amino-2-methoxypropyl)-[(4-fluorophenyl)methyl]carbamic acid
CID 70346660

Frequently Asked Questions

What is the IUPAC name of [2-amino-3-(4-fluorophenyl)propyl]-(2-amino-2-oxoethyl)carbamic acid?
The IUPAC name of [2-amino-3-(4-fluorophenyl)propyl]-(2-amino-2-oxoethyl)carbamic acid (CID 118340477) is [2-amino-3-(4-fluorophenyl)propyl]-(2-amino-2-oxoethyl)carbamic acid.
What is the SMILES notation for [2-amino-3-(4-fluorophenyl)propyl]-(2-amino-2-oxoethyl)carbamic acid?
The canonical SMILES for [2-amino-3-(4-fluorophenyl)propyl]-(2-amino-2-oxoethyl)carbamic acid is NC(=O)CN(CC(N)Cc1ccc(F)cc1)C(=O)O.
What is the InChIKey of [2-amino-3-(4-fluorophenyl)propyl]-(2-amino-2-oxoethyl)carbamic acid?
The InChIKey is JSQJHYGBSJPHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c13-9-3-1-8(2-4-9)5-10(14)6-16(12(18)19)7-11(15)17/h1-4,10H,5-7,14H2,(H2,15,17)(H,18,19).
What are the key properties of [2-amino-3-(4-fluorophenyl)propyl]-(2-amino-2-oxoethyl)carbamic acid?
[2-amino-3-(4-fluorophenyl)propyl]-(2-amino-2-oxoethyl)carbamic acid has a molecular weight of 269.28 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-(4-fluorophenyl)propyl]-(2-amino-2-oxoethyl)carbamic acid is sourced from PubChem (CID 118340477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).