2-[[(2S)-2-amino-2-phenylacetyl]amino]ethyl carbamate

C11H15N3O3 — CID 104898331

IUPAC2-[[(2S)-2-amino-2-phenylacetyl]amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C11H15N3O3/c12-9(8-4-2-1-3-5-8)10(15)14-6-7-17-11(13)16/h1-5,9H,6-7,12H2,(H2,13,16)(H,14,15)/t9-/m0/s1
InChIKeyRPFCMPSWEVCTEC-VIFPVBQESA-N
MW237.26 g/mol
LogP-0.10
Rot. Bonds5

About 2-[[(2S)-2-amino-2-phenylacetyl]amino]ethyl carbamate

2-[[(2S)-2-amino-2-phenylacetyl]amino]ethyl carbamate (PubChem CID 104898331) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-2-phenylacetyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[(2S)-2-amino-2-phenylacetyl]amino]ethyl carbamate
PubChem CID104898331
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[[(2S)-2-amino-2-phenylacetyl]amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C11H15N3O3/c12-9(8-4-2-1-3-5-8)10(15)14-6-7-17-11(13)16/h1-5,9H,6-7,12H2,(H2,13,16)(H,14,15)/t9-/m0/s1
InChIKeyRPFCMPSWEVCTEC-VIFPVBQESA-N
XLogP-0.10
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide
CID 113450222
4-[2-[[(2R)-2-amino-2-phenylacetyl]amino]ethoxy]benzamide
CID 141080234
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
(2R)-2-amino-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
CID 61275798
2-[[(2S)-2-amino-4-phenylbutanoyl]amino]ethyl carbamate
CID 104984749
(2S)-2-amino-N-(2-but-3-enoxyethyl)-2-phenylacetamide
CID 106398430
(2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide
CID 104897926
2-amino-N-(cyanomethyl)-2-phenylacetamide
CID 61253687
2-amino-N-(2-cycloheptyloxyethyl)-2-phenylacetamide;hydrochloride
CID 119325370
(2S)-4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-hydroxybutanoic acid
CID 107836300
4-[[(2R)-2-amino-2-phenylacetyl]amino]-2-hydroxybutanoic acid
CID 114006849

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-2-phenylacetyl]amino]ethyl carbamate?
The IUPAC name of 2-[[(2S)-2-amino-2-phenylacetyl]amino]ethyl carbamate (CID 104898331) is 2-[[(2S)-2-amino-2-phenylacetyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[(2S)-2-amino-2-phenylacetyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[(2S)-2-amino-2-phenylacetyl]amino]ethyl carbamate is NC(=O)OCCNC(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of 2-[[(2S)-2-amino-2-phenylacetyl]amino]ethyl carbamate?
The InChIKey is RPFCMPSWEVCTEC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3O3/c12-9(8-4-2-1-3-5-8)10(15)14-6-7-17-11(13)16/h1-5,9H,6-7,12H2,(H2,13,16)(H,14,15)/t9-/m0/s1.
What are the key properties of 2-[[(2S)-2-amino-2-phenylacetyl]amino]ethyl carbamate?
2-[[(2S)-2-amino-2-phenylacetyl]amino]ethyl carbamate has a molecular weight of 237.26 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-2-phenylacetyl]amino]ethyl carbamate is sourced from PubChem (CID 104898331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).