cis-(1S,3R)-2,2-dimethyl-3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid

C14H22N2O4 — CID 122065600

IUPACcis-(1S,3R)-2,2-dimethyl-3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C)N1CCC(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)C1=O
InChIInChI=1S/C14H22N2O4/c1-7(2)16-6-5-8(12(16)18)15-11(17)9-10(13(19)20)14(9,3)4/h7-10H,5-6H2,1-4H3,(H,15,17)(H,19,20)/t8?,9-,10+/m0/s1
InChIKeyGOEDCHGHBFZLKB-CBMCFHRWSA-N
MW282.34 g/mol
LogP0.47
Rot. Bonds4

About cis-(1S,3R)-2,2-dimethyl-3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid

cis-(1S,3R)-2,2-dimethyl-3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 122065600) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is cis-(1S,3R)-2,2-dimethyl-3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-2,2-dimethyl-3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID122065600
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namecis-(1S,3R)-2,2-dimethyl-3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C)N1CCC(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)C1=O
InChIInChI=1S/C14H22N2O4/c1-7(2)16-6-5-8(12(16)18)15-11(17)9-10(13(19)20)14(9,3)4/h7-10H,5-6H2,1-4H3,(H,15,17)(H,19,20)/t8?,9-,10+/m0/s1
InChIKeyGOEDCHGHBFZLKB-CBMCFHRWSA-N
XLogP0.47
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1S,3R)-2,2-dimethyl-3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

2-(4-Carboxy-2-{2-[2-(2-ethyl-butyrylamino)-3,3-dimethyl-butyrylamino]-4-oxo-4-pyrrolidin-1-yl-butyrylamino}-butyrylamino)-4-methyl-pentanoic acid
CID 515369
H-Ile-Glu-Pro-OH
CID 118709851
H-Leu-Glu-Pro-OH
CID 118709852
Glu-Pro-Leu
CID 145455477
Ac-Pro-Leu-Glu-Val-NH2
CID 162649511
Mullinamide A
CID 139586054
H-Glu-Glu-Ile-Val-D-Pro-Asn-OH
CID 44270400
Glu-Pro-Ile
CID 14889680
Glu-Ile-Pro
CID 145455413
Glu-Leu-Pro
CID 145455428
Glu-Pro-Val
CID 145455485
Glu-Val-Pro
CID 145455561

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-2,2-dimethyl-3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-2,2-dimethyl-3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 122065600) is cis-(1S,3R)-2,2-dimethyl-3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-2,2-dimethyl-3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-2,2-dimethyl-3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid is CC(C)N1CCC(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)C1=O.
What is the InChIKey of cis-(1S,3R)-2,2-dimethyl-3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is GOEDCHGHBFZLKB-CBMCFHRWSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-7(2)16-6-5-8(12(16)18)15-11(17)9-10(13(19)20)14(9,3)4/h7-10H,5-6H2,1-4H3,(H,15,17)(H,19,20)/t8?,9-,10+/m0/s1.
What are the key properties of cis-(1S,3R)-2,2-dimethyl-3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,3R)-2,2-dimethyl-3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-2,2-dimethyl-3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 122065600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).