(2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate

C12H17N3O3 — CID 140687105

IUPAC(2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate
SMILESNC(=O)CNC(=O)OCC(N)Cc1ccccc1
InChIInChI=1S/C12H17N3O3/c13-10(6-9-4-2-1-3-5-9)8-18-12(17)15-7-11(14)16/h1-5,10H,6-8,13H2,(H2,14,16)(H,15,17)
InChIKeyLGINNYTYYKXJBZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.23
Rot. Bonds6

About (2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate

(2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate (PubChem CID 140687105) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate.

Molecular Properties

Compound Name(2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate
PubChem CID140687105
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate
SMILESNC(=O)CNC(=O)OCC(N)Cc1ccccc1
InChIInChI=1S/C12H17N3O3/c13-10(6-9-4-2-1-3-5-9)8-18-12(17)15-7-11(14)16/h1-5,10H,6-8,13H2,(H2,14,16)(H,15,17)
InChIKeyLGINNYTYYKXJBZ-UHFFFAOYSA-N
XLogP-0.23
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;[(2R)-2-amino-3-phenylpropyl] carbamate
CID 172866706
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
2-methylpropyl N-(2-amino-3-phenylpropyl)carbamate
CID 90766727
[(2R)-2-amino-3-phenylpropyl] acetate;[(2S)-2-amino-3-phenylpropyl] carbamate
CID 160831000
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
(2-amino-3-phenylpropyl) carbamate;2,3-dihydroxybutanedioic acid
CID 175923615
(2-amino-3-phenylpropoxy)carbonylazanium
CID 152772339
[(2S)-2-amino-3-phenylpropyl] 2-methylpropanoate;hydrochloride
CID 68669537
[(2R)-2-amino-3-phenylpropyl] N-carbamoyl-N-methylcarbamate
CID 118351614
(2-amino-3-phenylpropyl)urea
CID 137464572
(2-amino-3-phenylpropyl) 2,2-dimethylpropanoate
CID 20769130
1-(2-amino-3-phenylpropoxy)ethenol
CID 91268849

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate?
The IUPAC name of (2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate (CID 140687105) is (2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate.
What is the SMILES notation for (2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate?
The canonical SMILES for (2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate is NC(=O)CNC(=O)OCC(N)Cc1ccccc1.
What is the InChIKey of (2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate?
The InChIKey is LGINNYTYYKXJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-10(6-9-4-2-1-3-5-9)8-18-12(17)15-7-11(14)16/h1-5,10H,6-8,13H2,(H2,14,16)(H,15,17).
What are the key properties of (2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate?
(2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate has a molecular weight of 251.29 g/mol, XLogP of -0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-phenylpropyl) N-(2-amino-2-oxoethyl)carbamate is sourced from PubChem (CID 140687105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).