(2S,3S)-3-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid

C19H24N2O4 — CID 100901057

IUPAC(2S,3S)-3-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
SMILESC[C@H](C(=O)O)[C@H](NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1ccccc1
InChIInChI=1S/C19H24N2O4/c1-12(19(24)25)17(14-5-3-2-4-6-14)20-18(23)15-9-16(22)21(11-15)10-13-7-8-13/h2-6,12-13,15,17H,7-11H2,1H3,(H,20,23)(H,24,25)/t12-,15-,17-/m0/s1
InChIKeyWUQYUCGIAHJKKC-NUTKFTJISA-N
MW344.41 g/mol
LogP1.82
Rot. Bonds7

About (2S,3S)-3-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid

(2S,3S)-3-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid (PubChem CID 100901057) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2S,3S)-3-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
PubChem CID100901057
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(2S,3S)-3-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
SMILESC[C@H](C(=O)O)[C@H](NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1ccccc1
InChIInChI=1S/C19H24N2O4/c1-12(19(24)25)17(14-5-3-2-4-6-14)20-18(23)15-9-16(22)21(11-15)10-13-7-8-13/h2-6,12-13,15,17H,7-11H2,1H3,(H,20,23)(H,24,25)/t12-,15-,17-/m0/s1
InChIKeyWUQYUCGIAHJKKC-NUTKFTJISA-N
XLogP1.82
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-3-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid with MolForge

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Related Compounds

(2R)-2-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 97185645
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 43353286
(2S)-2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 61143393
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 71915617
methyl (2R,3S)-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoate
CID 100900759
1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113182040
1-(3-methylbutyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113185589
3-[(1-benzylpiperidine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219104
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 75383641
1-(cyclopropylmethyl)-N-(3-methyl-2-propan-2-ylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 102914550
1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 61497970
(3R)-N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 97218411

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid?
The IUPAC name of (2S,3S)-3-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid (CID 100901057) is (2S,3S)-3-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for (2S,3S)-3-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for (2S,3S)-3-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid is C[C@H](C(=O)O)[C@H](NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1ccccc1.
What is the InChIKey of (2S,3S)-3-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid?
The InChIKey is WUQYUCGIAHJKKC-NUTKFTJISA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12(19(24)25)17(14-5-3-2-4-6-14)20-18(23)15-9-16(22)21(11-15)10-13-7-8-13/h2-6,12-13,15,17H,7-11H2,1H3,(H,20,23)(H,24,25)/t12-,15-,17-/m0/s1.
What are the key properties of (2S,3S)-3-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid?
(2S,3S)-3-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid has a molecular weight of 344.41 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 100901057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).