carbamic acid;(3S,4R)-4-phenylpyrrolidin-3-amine

C11H17N3O2 — CID 161253408

IUPACcarbamic acid;(3S,4R)-4-phenylpyrrolidin-3-amine
SMILESNC(=O)O.N[C@@H]1CNC[C@H]1c1ccccc1
InChIInChI=1S/C10H14N2.CH3NO2/c11-10-7-12-6-9(10)8-4-2-1-3-5-8;2-1(3)4/h1-5,9-10,12H,6-7,11H2;2H2,(H,3,4)/t9-,10+;/m0./s1
InChIKeyVBOOQHDNDZGGHE-BAUSSPIASA-N
MW223.28 g/mol
LogP0.32
Rot. Bonds1

About carbamic acid;(3S,4R)-4-phenylpyrrolidin-3-amine

carbamic acid;(3S,4R)-4-phenylpyrrolidin-3-amine (PubChem CID 161253408) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is carbamic acid;(3S,4R)-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Namecarbamic acid;(3S,4R)-4-phenylpyrrolidin-3-amine
PubChem CID161253408
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namecarbamic acid;(3S,4R)-4-phenylpyrrolidin-3-amine
SMILESNC(=O)O.N[C@@H]1CNC[C@H]1c1ccccc1
InChIInChI=1S/C10H14N2.CH3NO2/c11-10-7-12-6-9(10)8-4-2-1-3-5-8;2-1(3)4/h1-5,9-10,12H,6-7,11H2;2H2,(H,3,4)/t9-,10+;/m0./s1
InChIKeyVBOOQHDNDZGGHE-BAUSSPIASA-N
XLogP0.32
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

oxalic acid;bis((3S,4R)-4-phenylpyrrolidin-3-ol)
CID 86811208
2-(4-phenylpyrrolidin-3-yl)acetate
CID 71775839
(3S,4R)-4-phenylpyrrolidin-3-ol
CID 25067300
(3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride
CID 162341594
(3R,4R)-4-pyridin-4-ylpyrrolidin-3-amine
CID 129493482
(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-amine
CID 90167505
[(3S,4R)-4-phenylpyrrolidin-3-yl]carbamic acid
CID 71014533
(3R,4S)-3-ethyl-4-phenylpyrrolidine
CID 124705784
(3S,4R)-3-ethyl-4-phenylpyrrolidine
CID 124705552
acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine
CID 22216545
(3R,4R)-4-[4-(dimethylamino)phenyl]pyrrolidin-3-amine
CID 129407390
tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate
CID 53439169

Frequently Asked Questions

What is the IUPAC name of carbamic acid;(3S,4R)-4-phenylpyrrolidin-3-amine?
The IUPAC name of carbamic acid;(3S,4R)-4-phenylpyrrolidin-3-amine (CID 161253408) is carbamic acid;(3S,4R)-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for carbamic acid;(3S,4R)-4-phenylpyrrolidin-3-amine?
The canonical SMILES for carbamic acid;(3S,4R)-4-phenylpyrrolidin-3-amine is NC(=O)O.N[C@@H]1CNC[C@H]1c1ccccc1.
What is the InChIKey of carbamic acid;(3S,4R)-4-phenylpyrrolidin-3-amine?
The InChIKey is VBOOQHDNDZGGHE-BAUSSPIASA-N. The full InChI is InChI=1S/C10H14N2.CH3NO2/c11-10-7-12-6-9(10)8-4-2-1-3-5-8;2-1(3)4/h1-5,9-10,12H,6-7,11H2;2H2,(H,3,4)/t9-,10+;/m0./s1.
What are the key properties of carbamic acid;(3S,4R)-4-phenylpyrrolidin-3-amine?
carbamic acid;(3S,4R)-4-phenylpyrrolidin-3-amine has a molecular weight of 223.28 g/mol, XLogP of 0.32, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;(3S,4R)-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 161253408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).