cis-(1R,3S)-2,2-dimethyl-3-[[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid

C16H19N3O4 — CID 122066179

IUPACcis-(1R,3S)-2,2-dimethyl-3-[[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)[C@H](C(=O)O)[C@@H]1C(=O)Nc1ccc(N2CCCC2=O)cn1
InChIInChI=1S/C16H19N3O4/c1-16(2)12(13(16)15(22)23)14(21)18-10-6-5-9(8-17-10)19-7-3-4-11(19)20/h5-6,8,12-13H,3-4,7H2,1-2H3,(H,22,23)(H,17,18,21)/t12-,13+/m1/s1
InChIKeyHIUNNEQPIACDGR-OLZOCXBDSA-N
MW317.35 g/mol
LogP1.50
Rot. Bonds4

About cis-(1R,3S)-2,2-dimethyl-3-[[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid

cis-(1R,3S)-2,2-dimethyl-3-[[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 122066179) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is cis-(1R,3S)-2,2-dimethyl-3-[[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-2,2-dimethyl-3-[[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID122066179
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Namecis-(1R,3S)-2,2-dimethyl-3-[[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)[C@H](C(=O)O)[C@@H]1C(=O)Nc1ccc(N2CCCC2=O)cn1
InChIInChI=1S/C16H19N3O4/c1-16(2)12(13(16)15(22)23)14(21)18-10-6-5-9(8-17-10)19-7-3-4-11(19)20/h5-6,8,12-13H,3-4,7H2,1-2H3,(H,22,23)(H,17,18,21)/t12-,13+/m1/s1
InChIKeyHIUNNEQPIACDGR-OLZOCXBDSA-N
XLogP1.50
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1R,3S)-2,2-dimethyl-3-[[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1R,3S)-2,2-dimethyl-3-[(5-pyrrolidin-1-yl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 122065870
N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]spiro[2.4]heptane-2-carboxamide
CID 139011136
(2R)-2-amino-N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]propanamide;hydrochloride
CID 120873315
1-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-3-pyridin-3-ylurea
CID 58150071
8-methoxy-N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]naphthalene-1-carboxamide
CID 167768311
1-N-(5-chloro-2-pyridinyl)-4-methoxy-2-N-[5-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide
CID 10217341
1-[6-[(5-methylfuran-2-yl)methylamino]-3-pyridinyl]pyrrolidin-2-one
CID 126783097
N-(5-methyl-2-pyridinyl)-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 55810049
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
N-(5-methyl-2-pyridinyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 51250769
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-[[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-2,2-dimethyl-3-[[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 122066179) is cis-(1R,3S)-2,2-dimethyl-3-[[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-2,2-dimethyl-3-[[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-2,2-dimethyl-3-[[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid is CC1(C)[C@H](C(=O)O)[C@@H]1C(=O)Nc1ccc(N2CCCC2=O)cn1.
What is the InChIKey of cis-(1R,3S)-2,2-dimethyl-3-[[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is HIUNNEQPIACDGR-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-16(2)12(13(16)15(22)23)14(21)18-10-6-5-9(8-17-10)19-7-3-4-11(19)20/h5-6,8,12-13H,3-4,7H2,1-2H3,(H,22,23)(H,17,18,21)/t12-,13+/m1/s1.
What are the key properties of cis-(1R,3S)-2,2-dimethyl-3-[[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1R,3S)-2,2-dimethyl-3-[[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 317.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-2,2-dimethyl-3-[[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 122066179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).