[4-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]phenyl] carbamate

C14H19N3O3 — CID 175604906

IUPAC[4-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]phenyl] carbamate
SMILESNC(=O)Oc1ccc(CNC(=O)C(N)CC2CC2)cc1
InChIInChI=1S/C14H19N3O3/c15-12(7-9-1-2-9)13(18)17-8-10-3-5-11(6-4-10)20-14(16)19/h3-6,9,12H,1-2,7-8,15H2,(H2,16,19)(H,17,18)
InChIKeyZEHFDHGQPYENQL-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.89
Rot. Bonds6

About [4-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]phenyl] carbamate

[4-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]phenyl] carbamate (PubChem CID 175604906) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is [4-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]phenyl] carbamate.

Molecular Properties

Compound Name[4-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]phenyl] carbamate
PubChem CID175604906
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name[4-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]phenyl] carbamate
SMILESNC(=O)Oc1ccc(CNC(=O)C(N)CC2CC2)cc1
InChIInChI=1S/C14H19N3O3/c15-12(7-9-1-2-9)13(18)17-8-10-3-5-11(6-4-10)20-14(16)19/h3-6,9,12H,1-2,7-8,15H2,(H2,16,19)(H,17,18)
InChIKeyZEHFDHGQPYENQL-UHFFFAOYSA-N
XLogP0.89
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-benzyl-3-cyclopropylpropanamide
CID 130520932
[4-[(propanoylamino)methyl]phenyl] carbamate
CID 175552226
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide
CID 15516889
(2S)-2-amino-3-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide
CID 112735331
(2R)-2-amino-3-cyclopropyl-N-ethylpropanamide
CID 82668057
(2S)-2-amino-N-[(4-cyclohexyloxyphenyl)methyl]-3-phenylpropanamide
CID 119312794
2-amino-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 115152374
N-benzyl-3-cyclopropyl-2-methylpropanamide
CID 11218218
2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 120985903
[4-[(2R)-2-aminopropyl]phenyl] carbamate
CID 66608683
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide
CID 112735476
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]phenyl] carbamate?
The IUPAC name of [4-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]phenyl] carbamate (CID 175604906) is [4-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]phenyl] carbamate.
What is the SMILES notation for [4-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]phenyl] carbamate?
The canonical SMILES for [4-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]phenyl] carbamate is NC(=O)Oc1ccc(CNC(=O)C(N)CC2CC2)cc1.
What is the InChIKey of [4-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]phenyl] carbamate?
The InChIKey is ZEHFDHGQPYENQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-12(7-9-1-2-9)13(18)17-8-10-3-5-11(6-4-10)20-14(16)19/h3-6,9,12H,1-2,7-8,15H2,(H2,16,19)(H,17,18).
What are the key properties of [4-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]phenyl] carbamate?
[4-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]phenyl] carbamate has a molecular weight of 277.32 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-amino-3-cyclopropylpropanoyl)amino]methyl]phenyl] carbamate is sourced from PubChem (CID 175604906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).