(2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride

C16H24ClN3O2 — CID 119298734

IUPAC(2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride
SMILESCC(CN1CCCC1=O)NC(=O)[C@@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-12(11-19-9-5-8-15(19)20)18-16(21)14(17)10-13-6-3-2-4-7-13;/h2-4,6-7,12,14H,5,8-11,17H2,1H3,(H,18,21);1H/t12?,14-;/m0./s1
InChIKeyPUWUAYJWZLOLRE-KQYRMMKASA-N
MW325.84 g/mol
LogP1.11
Rot. Bonds6

About (2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride (PubChem CID 119298734) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride
PubChem CID119298734
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name(2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride
SMILESCC(CN1CCCC1=O)NC(=O)[C@@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-12(11-19-9-5-8-15(19)20)18-16(21)14(17)10-13-6-3-2-4-7-13;/h2-4,6-7,12,14H,5,8-11,17H2,1H3,(H,18,21);1H/t12?,14-;/m0./s1
InChIKeyPUWUAYJWZLOLRE-KQYRMMKASA-N
XLogP1.11
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
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2-amino-3-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pentanamide;hydrochloride
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2-amino-3-phenyl-N-propan-2-ylpropanamide
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phenyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
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methyl (2S)-2-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-(2-oxopyrrolidin-1-yl)propanoate
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4-(aminomethyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride (CID 119298734) is (2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride is CC(CN1CCCC1=O)NC(=O)[C@@H](N)Cc1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride?
The InChIKey is PUWUAYJWZLOLRE-KQYRMMKASA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-12(11-19-9-5-8-15(19)20)18-16(21)14(17)10-13-6-3-2-4-7-13;/h2-4,6-7,12,14H,5,8-11,17H2,1H3,(H,18,21);1H/t12?,14-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119298734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).