1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid

C14H23N3O4 — CID 102782877

IUPAC1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NCCCC(=O)NC2CC2)C1C(=O)O
InChIInChI=1S/C14H23N3O4/c1-9-6-8-17(12(9)13(19)20)14(21)15-7-2-3-11(18)16-10-4-5-10/h9-10,12H,2-8H2,1H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyNGZGSLRIYRMPBH-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.55
Rot. Bonds6

About 1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid

1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102782877) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102782877
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NCCCC(=O)NC2CC2)C1C(=O)O
InChIInChI=1S/C14H23N3O4/c1-9-6-8-17(12(9)13(19)20)14(21)15-7-2-3-11(18)16-10-4-5-10/h9-10,12H,2-8H2,1H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyNGZGSLRIYRMPBH-UHFFFAOYSA-N
XLogP0.55
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 102783011
4-[(2,3-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 122022322
3-methyl-1-(4-propan-2-yloxybutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 106004384
3-methyl-1-(3-phenylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 102781918
1-(hexylcarbamoyl)-3-methylpiperidine-2-carboxylic acid
CID 107071691
3-methyl-1-(3-methylsulfanylpropylcarbamoyl)piperidine-2-carboxylic acid
CID 107071676
3-methyl-1-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782518
(3S)-1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid
CID 81118415
3-methyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102783102
1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid
CID 79381622
3-methyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782299
1-[3-(methanesulfonamido)propylcarbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 106340278

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102782877) is 1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(C(=O)NCCCC(=O)NC2CC2)C1C(=O)O.
What is the InChIKey of 1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is NGZGSLRIYRMPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-9-6-8-17(12(9)13(19)20)14(21)15-7-2-3-11(18)16-10-4-5-10/h9-10,12H,2-8H2,1H3,(H,15,21)(H,16,18)(H,19,20).
What are the key properties of 1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102782877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).