2-amino-1-[(2R)-2-isocyanopyrrolidin-1-yl]ethanone

C7H11N3O — CID 59151521

IUPAC2-amino-1-[(2R)-2-isocyanopyrrolidin-1-yl]ethanone
SMILES[C-]#[N+][C@@H]1CCCN1C(=O)CN
InChIInChI=1S/C7H11N3O/c1-9-6-3-2-4-10(6)7(11)5-8/h6H,2-5,8H2/t6-/m0/s1
InChIKeySXQSVPKAPZJVNM-LURJTMIESA-N
MW153.18 g/mol
LogP-0.19
Rot. Bonds1

About 2-amino-1-[(2R)-2-isocyanopyrrolidin-1-yl]ethanone

2-amino-1-[(2R)-2-isocyanopyrrolidin-1-yl]ethanone (PubChem CID 59151521) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-amino-1-[(2R)-2-isocyanopyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(2R)-2-isocyanopyrrolidin-1-yl]ethanone
PubChem CID59151521
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name2-amino-1-[(2R)-2-isocyanopyrrolidin-1-yl]ethanone
SMILES[C-]#[N+][C@@H]1CCCN1C(=O)CN
InChIInChI=1S/C7H11N3O/c1-9-6-3-2-4-10(6)7(11)5-8/h6H,2-5,8H2/t6-/m0/s1
InChIKeySXQSVPKAPZJVNM-LURJTMIESA-N
XLogP-0.19
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane
CID 166119423
2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone
CID 60946954
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
3-(benzenesulfonyl)propan-1-amine;bis(2-[3-(benzenesulfonyl)propylamino]-1-[(2R)-2-isocyanopyrrolidin-1-yl]ethanone);2-bromo-1-[(2R)-2-isocyanopyrrolidin-1-yl]ethanone
CID 159970040
2-amino-1-(2-methylazetidin-1-yl)ethanone
CID 67101715
2-amino-1-[(2R)-2-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 96554850
(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-one;2-amino-1-[(2R)-2-isocyanopyrrolidin-1-yl]ethanone;tris(methyl (3aS,6aR)-5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate);methyl (3aR,6aS)-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate;hydrochloride
CID 160745957
2-amino-1-(2,3-dimethylpyrrolidin-1-yl)ethanone
CID 130932525
1-(2-aminoacetyl)-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 119305869

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(2R)-2-isocyanopyrrolidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[(2R)-2-isocyanopyrrolidin-1-yl]ethanone (CID 59151521) is 2-amino-1-[(2R)-2-isocyanopyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(2R)-2-isocyanopyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[(2R)-2-isocyanopyrrolidin-1-yl]ethanone is [C-]#[N+][C@@H]1CCCN1C(=O)CN.
What is the InChIKey of 2-amino-1-[(2R)-2-isocyanopyrrolidin-1-yl]ethanone?
The InChIKey is SXQSVPKAPZJVNM-LURJTMIESA-N. The full InChI is InChI=1S/C7H11N3O/c1-9-6-3-2-4-10(6)7(11)5-8/h6H,2-5,8H2/t6-/m0/s1.
What are the key properties of 2-amino-1-[(2R)-2-isocyanopyrrolidin-1-yl]ethanone?
2-amino-1-[(2R)-2-isocyanopyrrolidin-1-yl]ethanone has a molecular weight of 153.18 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(2R)-2-isocyanopyrrolidin-1-yl]ethanone is sourced from PubChem (CID 59151521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).