1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid

C14H24N2O3 — CID 55165973

IUPAC1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(C)C(=O)NC2CC2)C1
InChIInChI=1S/C14H24N2O3/c1-3-6-14(13(18)19)7-8-16(9-14)10(2)12(17)15-11-4-5-11/h10-11H,3-9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyCLANFMKYBRXXOH-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.23
Rot. Bonds6

About 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid

1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 55165973) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID55165973
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(C)C(=O)NC2CC2)C1
InChIInChI=1S/C14H24N2O3/c1-3-6-14(13(18)19)7-8-16(9-14)10(2)12(17)15-11-4-5-11/h10-11H,3-9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyCLANFMKYBRXXOH-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid
CID 63148720
1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 63148765
1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65064430
1-[(4-methylcyclohexyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63145607
1-(2,6-dimethylheptan-4-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 114866937
1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 63148630
3-amino-1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 107324286
1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 63124464
1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3-methylpiperidine-3-carboxylic acid
CID 63136783
1-(1-methoxybutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068653
1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid
CID 65064765
N-cyclopropyl-2-[4-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 115305216

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid (CID 55165973) is 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(C)C(=O)NC2CC2)C1.
What is the InChIKey of 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is CLANFMKYBRXXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-6-14(13(18)19)7-8-16(9-14)10(2)12(17)15-11-4-5-11/h10-11H,3-9H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid?
1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55165973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).