(2S)-2-amino-4-methyl-N-[[1-(1-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide

C19H31N3O — CID 118427405

IUPAC(2S)-2-amino-4-methyl-N-[[1-(1-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC1CCN(C(C)c2ccccc2)C1
InChIInChI=1S/C19H31N3O/c1-14(2)11-18(20)19(23)21-12-16-9-10-22(13-16)15(3)17-7-5-4-6-8-17/h4-8,14-16,18H,9-13,20H2,1-3H3,(H,21,23)/t15?,16?,18-/m0/s1
InChIKeyYNCOLIGLRRYKCN-HTWSVDAQSA-N
MW317.48 g/mol
LogP2.56
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-[[1-(1-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide

(2S)-2-amino-4-methyl-N-[[1-(1-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide (PubChem CID 118427405) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[[1-(1-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[[1-(1-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
PubChem CID118427405
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name(2S)-2-amino-4-methyl-N-[[1-(1-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC1CCN(C(C)c2ccccc2)C1
InChIInChI=1S/C19H31N3O/c1-14(2)11-18(20)19(23)21-12-16-9-10-22(13-16)15(3)17-7-5-4-6-8-17/h4-8,14-16,18H,9-13,20H2,1-3H3,(H,21,23)/t15?,16?,18-/m0/s1
InChIKeyYNCOLIGLRRYKCN-HTWSVDAQSA-N
XLogP2.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-4-methyl-N-[[1-(1-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide with MolForge

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Related Compounds

(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-4-methylpentanamide;dihydrochloride
CID 119864228
2-hydroxy-2,2-diphenyl-N-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methyl]acetamide
CID 11567829
2-amino-2-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide
CID 119866660
(2S)-2-amino-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 119885169
[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine
CID 2237132
(2R)-2-[ethyl(methyl)amino]-2-phenyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 124811415
2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866668
2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid
CID 18396255
(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 61180690
(2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 104897742
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
N-methyl-1-[1-(1-phenylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914413

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[[1-(1-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[[1-(1-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide (CID 118427405) is (2S)-2-amino-4-methyl-N-[[1-(1-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[[1-(1-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[[1-(1-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide is CC(C)C[C@H](N)C(=O)NCC1CCN(C(C)c2ccccc2)C1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[[1-(1-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide?
The InChIKey is YNCOLIGLRRYKCN-HTWSVDAQSA-N. The full InChI is InChI=1S/C19H31N3O/c1-14(2)11-18(20)19(23)21-12-16-9-10-22(13-16)15(3)17-7-5-4-6-8-17/h4-8,14-16,18H,9-13,20H2,1-3H3,(H,21,23)/t15?,16?,18-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[[1-(1-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide?
(2S)-2-amino-4-methyl-N-[[1-(1-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide has a molecular weight of 317.48 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[[1-(1-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide is sourced from PubChem (CID 118427405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).