2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid

C18H31N3O4 — CID 125151592

IUPAC2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C18H31N3O4/c1-19(2)9-10-20(13-17(23)24)18(25)14-11-16(22)21(12-14)15-7-5-3-4-6-8-15/h14-15H,3-13H2,1-2H3,(H,23,24)/t14-/m1/s1
InChIKeyKDPIQWIZKIKKLT-CQSZACIVSA-N
MW353.46 g/mol
LogP1.03
Rot. Bonds7

About 2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid

2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid (PubChem CID 125151592) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is 2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
PubChem CID125151592
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C18H31N3O4/c1-19(2)9-10-20(13-17(23)24)18(25)14-11-16(22)21(12-14)15-7-5-3-4-6-8-15/h14-15H,3-13H2,1-2H3,(H,23,24)/t14-/m1/s1
InChIKeyKDPIQWIZKIKKLT-CQSZACIVSA-N
XLogP1.03
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid with MolForge

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Related Compounds

2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid
CID 129365611
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190271
(3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 95280942
2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119172024
(3R)-N,N-bis(2-cyanoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364757
2-[2-(dimethylamino)ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 126781440
2-[cyclopropyl-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid
CID 54946145
1-cyclohexyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 110614196
N-(2-cyanoethyl)-1-cyclopentyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51074163
(3R)-1-cycloheptyl-N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-3-carboxamide
CID 95294699
2-[(1-carbamoylpiperidine-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802821
(3S)-1-cyclopentyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95353422

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid (CID 125151592) is 2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid is CN(C)CCN(CC(=O)O)C(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of 2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid?
The InChIKey is KDPIQWIZKIKKLT-CQSZACIVSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-19(2)9-10-20(13-17(23)24)18(25)14-11-16(22)21(12-14)15-7-5-3-4-6-8-15/h14-15H,3-13H2,1-2H3,(H,23,24)/t14-/m1/s1.
What are the key properties of 2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid?
2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid has a molecular weight of 353.46 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 125151592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).