2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride

C16H23ClN4O2 — CID 120761248

IUPAC2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
SMILESCl.N[C@@H]1CN(CC(=O)NC(=O)NC2CC2)C[C@H]1c1ccccc1
InChIInChI=1S/C16H22N4O2.ClH/c17-14-9-20(8-13(14)11-4-2-1-3-5-11)10-15(21)19-16(22)18-12-6-7-12;/h1-5,12-14H,6-10,17H2,(H2,18,19,21,22);1H/t13-,14+;/m0./s1
InChIKeyLKJHIAKESWGANM-LMRHVHIWSA-N
MW338.84 g/mol
LogP0.82
Rot. Bonds4

About 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride

2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride (PubChem CID 120761248) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
PubChem CID120761248
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
SMILESCl.N[C@@H]1CN(CC(=O)NC(=O)NC2CC2)C[C@H]1c1ccccc1
InChIInChI=1S/C16H22N4O2.ClH/c17-14-9-20(8-13(14)11-4-2-1-3-5-11)10-15(21)19-16(22)18-12-6-7-12;/h1-5,12-14H,6-10,17H2,(H2,18,19,21,22);1H/t13-,14+;/m0./s1
InChIKeyLKJHIAKESWGANM-LMRHVHIWSA-N
XLogP0.82
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide
CID 120761249
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclooctylacetamide;hydrochloride
CID 120761330
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 120761771
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 120761760
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 120761521
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120761400
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-prop-2-enylacetamide;hydrochloride
CID 120762190
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-bromophenyl)acetamide;hydrochloride
CID 120760737
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 120759684
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 120760845
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 120761401
2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 9223376

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride?
The IUPAC name of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride (CID 120761248) is 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride?
The canonical SMILES for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride is Cl.N[C@@H]1CN(CC(=O)NC(=O)NC2CC2)C[C@H]1c1ccccc1.
What is the InChIKey of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride?
The InChIKey is LKJHIAKESWGANM-LMRHVHIWSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c17-14-9-20(8-13(14)11-4-2-1-3-5-11)10-15(21)19-16(22)18-12-6-7-12;/h1-5,12-14H,6-10,17H2,(H2,18,19,21,22);1H/t13-,14+;/m0./s1.
What are the key properties of 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride?
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride is sourced from PubChem (CID 120761248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).