[(3S)-3-amino-3-phenylpropyl] carbamate

C10H14N2O2 — CID 90391967

IUPAC[(3S)-3-amino-3-phenylpropyl] carbamate
SMILESNC(=O)OCC[C@H](N)c1ccccc1
InChIInChI=1S/C10H14N2O2/c11-9(6-7-14-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H2,12,13)/t9-/m0/s1
InChIKeyNANVCHDZEMFQLA-VIFPVBQESA-N
MW194.23 g/mol
LogP1.17
Rot. Bonds4

About [(3S)-3-amino-3-phenylpropyl] carbamate

[(3S)-3-amino-3-phenylpropyl] carbamate (PubChem CID 90391967) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is [(3S)-3-amino-3-phenylpropyl] carbamate.

Molecular Properties

Compound Name[(3S)-3-amino-3-phenylpropyl] carbamate
PubChem CID90391967
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name[(3S)-3-amino-3-phenylpropyl] carbamate
SMILESNC(=O)OCC[C@H](N)c1ccccc1
InChIInChI=1S/C10H14N2O2/c11-9(6-7-14-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H2,12,13)/t9-/m0/s1
InChIKeyNANVCHDZEMFQLA-VIFPVBQESA-N
XLogP1.17
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-amino-3-phenylpropoxy)methylamino]-2-oxoethyl] carbamate
CID 175600816
(4-hydroxy-3-phenylhexyl) carbamate
CID 175539407
[3-amino-3-(2-fluorophenyl)propyl] carbamate;methane
CID 158668291
2-[[(2S)-2-amino-2-phenylacetyl]amino]ethyl carbamate
CID 104898331
4-amino-1,4-diphenylbutan-1-one
CID 116570833
(3-bromo-4-phenylbutyl) carbamate
CID 174694654
(3-carbamoyloxy-2-phenylpropyl) carbamate;hydrate
CID 23581812
[amino(phenyl)methyl] carbamate
CID 66688538
4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 63324363
3-amino-3-phenylpropane-1-sulfonic acid
CID 11976922
[(2R)-2-phenylpropyl] carbamate
CID 175384997
(3-hydroxy-2,2-dimethyl-3-phenylpropyl) carbamate
CID 4639380

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-amino-3-phenylpropyl] carbamate?
The IUPAC name of [(3S)-3-amino-3-phenylpropyl] carbamate (CID 90391967) is [(3S)-3-amino-3-phenylpropyl] carbamate.
What is the SMILES notation for [(3S)-3-amino-3-phenylpropyl] carbamate?
The canonical SMILES for [(3S)-3-amino-3-phenylpropyl] carbamate is NC(=O)OCC[C@H](N)c1ccccc1.
What is the InChIKey of [(3S)-3-amino-3-phenylpropyl] carbamate?
The InChIKey is NANVCHDZEMFQLA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O2/c11-9(6-7-14-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H2,12,13)/t9-/m0/s1.
What are the key properties of [(3S)-3-amino-3-phenylpropyl] carbamate?
[(3S)-3-amino-3-phenylpropyl] carbamate has a molecular weight of 194.23 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-amino-3-phenylpropyl] carbamate is sourced from PubChem (CID 90391967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).