[(2R)-1-amino-3-(4-cyanophenyl)propan-2-yl]carbamic acid

C11H13N3O2 — CID 129188135

IUPAC[(2R)-1-amino-3-(4-cyanophenyl)propan-2-yl]carbamic acid
SMILESN#Cc1ccc(C[C@H](CN)NC(=O)O)cc1
InChIInChI=1S/C11H13N3O2/c12-6-9-3-1-8(2-4-9)5-10(7-13)14-11(15)16/h1-4,10,14H,5,7,13H2,(H,15,16)/t10-/m1/s1
InChIKeyHCUGOYDQGRPPHT-SNVBAGLBSA-N
MW219.24 g/mol
LogP0.70
Rot. Bonds4

About [(2R)-1-amino-3-(4-cyanophenyl)propan-2-yl]carbamic acid

[(2R)-1-amino-3-(4-cyanophenyl)propan-2-yl]carbamic acid (PubChem CID 129188135) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is [(2R)-1-amino-3-(4-cyanophenyl)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-amino-3-(4-cyanophenyl)propan-2-yl]carbamic acid
PubChem CID129188135
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name[(2R)-1-amino-3-(4-cyanophenyl)propan-2-yl]carbamic acid
SMILESN#Cc1ccc(C[C@H](CN)NC(=O)O)cc1
InChIInChI=1S/C11H13N3O2/c12-6-9-3-1-8(2-4-9)5-10(7-13)14-11(15)16/h1-4,10,14H,5,7,13H2,(H,15,16)/t10-/m1/s1
InChIKeyHCUGOYDQGRPPHT-SNVBAGLBSA-N
XLogP0.70
TPSA99.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-amino-3-(4-cyanophenyl)-1-sulfanylidenepropan-2-yl]carbamic acid
CID 139301066
[(2R)-1-(4-cyanophenyl)-3-hydroxy-3-methylbutan-2-yl]carbamic acid
CID 146559463
[1-(4-cyanophenyl)-4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)butan-2-yl]carbamic acid
CID 139301050
[1-(4-cyanophenyl)-4-[(1-methylpiperidin-4-yl)methylamino]butan-2-yl]carbamic acid
CID 139301249
2-cyano-3-(4-cyanophenyl)propanoic acid
CID 91646199
ethyl 2-acetamido-3-(4-cyanophenyl)propanoate
CID 10869023
[(carboxyamino)-(4-cyanophenyl)methyl]carbamic acid
CID 90310855
[1-(2-amino-4-cyanophenyl)-3-hydroxypropan-2-yl]carbamic acid
CID 139301196
ethyl (2R)-3-(4-cyanophenyl)-2-methylpropanoate
CID 124632195
4-(1,3-diaminopropan-2-ylamino)benzonitrile
CID 130964172
(3S)-4-(4-cyanophenyl)-3-[[2-(3,4-dichlorophenyl)acetyl]amino]butanoic acid
CID 67361893
(2S)-3-amino-2-(4-cyanophenyl)propanoic acid
CID 57364978

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-3-(4-cyanophenyl)propan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-amino-3-(4-cyanophenyl)propan-2-yl]carbamic acid (CID 129188135) is [(2R)-1-amino-3-(4-cyanophenyl)propan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-amino-3-(4-cyanophenyl)propan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-amino-3-(4-cyanophenyl)propan-2-yl]carbamic acid is N#Cc1ccc(C[C@H](CN)NC(=O)O)cc1.
What is the InChIKey of [(2R)-1-amino-3-(4-cyanophenyl)propan-2-yl]carbamic acid?
The InChIKey is HCUGOYDQGRPPHT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-6-9-3-1-8(2-4-9)5-10(7-13)14-11(15)16/h1-4,10,14H,5,7,13H2,(H,15,16)/t10-/m1/s1.
What are the key properties of [(2R)-1-amino-3-(4-cyanophenyl)propan-2-yl]carbamic acid?
[(2R)-1-amino-3-(4-cyanophenyl)propan-2-yl]carbamic acid has a molecular weight of 219.24 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-3-(4-cyanophenyl)propan-2-yl]carbamic acid is sourced from PubChem (CID 129188135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).