N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;hydrochloride

C17H26ClN3O3 — CID 153446164

IUPACN-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)C(NC(=O)C1CC(c2ccccc2)CN1)C(O)C(N)=O.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-10(2)14(15(21)16(18)22)20-17(23)13-8-12(9-19-13)11-6-4-3-5-7-11;/h3-7,10,12-15,19,21H,8-9H2,1-2H3,(H2,18,22)(H,20,23);1H
InChIKeyOVGDKSHBKZNHMH-UHFFFAOYSA-N
MW355.87 g/mol
LogP0.54
Rot. Bonds6

About N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;hydrochloride

N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 153446164) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID153446164
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC NameN-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)C(NC(=O)C1CC(c2ccccc2)CN1)C(O)C(N)=O.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-10(2)14(15(21)16(18)22)20-17(23)13-8-12(9-19-13)11-6-4-3-5-7-11;/h3-7,10,12-15,19,21H,8-9H2,1-2H3,(H2,18,22)(H,20,23);1H
InChIKeyOVGDKSHBKZNHMH-UHFFFAOYSA-N
XLogP0.54
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-phenylpyrrolidine-2-carboxamide
CID 171062215
(2R,4S)-4-phenylpyrrolidine-2-carboxylic acid
CID 56845333
methyl (2S,4R)-4-phenylpyrrolidine-2-carboxylate
CID 14102971
methyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
CID 92978343
ethyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
CID 153349946
2,2,2-trichloroethyl N-[amino-[4-[[[(2S)-2-[[(2R,4R)-4-phenylpyrrolidine-2-carbonyl]amino]propanoyl]amino]methyl]phenyl]methylidene]carbamate
CID 172867851
(2R,4R)-N-[(2S)-1-[(3-amino-1H-indazol-6-yl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 175888455
(2R,4R)-N-[(2S)-1-[(3-amino-1,2-benzoxazol-6-yl)methylamino]-1-oxopropan-2-yl]-4-phenylpyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 175888221
N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-phenylpiperidine-2-carboxamide
CID 140659220
(4S)-N-[(2S)-1-[2-(2,6-difluoro-4-methylphenyl)ethylamino]-4,4-difluoro-1-oxobutan-2-yl]-4-phenylpyrrolidine-2-carboxamide
CID 58715225
(2S)-4-phenylpiperidine-2-carboxamide
CID 129163808
(2R)-N-[1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(3-cyanophenyl)pyrrolidine-2-carboxamide
CID 175445972

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;hydrochloride (CID 153446164) is N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;hydrochloride is CC(C)C(NC(=O)C1CC(c2ccccc2)CN1)C(O)C(N)=O.Cl.
What is the InChIKey of N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is OVGDKSHBKZNHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3.ClH/c1-10(2)14(15(21)16(18)22)20-17(23)13-8-12(9-19-13)11-6-4-3-5-7-11;/h3-7,10,12-15,19,21H,8-9H2,1-2H3,(H2,18,22)(H,20,23);1H.
What are the key properties of N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;hydrochloride?
N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 0.54, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-4-phenylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 153446164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).