3-amino-1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid

C14H25N3O3 — CID 107324286

IUPAC3-amino-1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
SMILESCC(C(=O)NC1CCCCC1)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C14H25N3O3/c1-10(12(18)16-11-5-3-2-4-6-11)17-8-7-14(15,9-17)13(19)20/h10-11H,2-9,15H2,1H3,(H,16,18)(H,19,20)
InChIKeySGRSQNISAYWCTM-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.31
Rot. Bonds4

About 3-amino-1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid

3-amino-1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid (PubChem CID 107324286) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-amino-1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
PubChem CID107324286
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-amino-1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
SMILESCC(C(=O)NC1CCCCC1)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C14H25N3O3/c1-10(12(18)16-11-5-3-2-4-6-11)17-8-7-14(15,9-17)13(19)20/h10-11H,2-9,15H2,1H3,(H,16,18)(H,19,20)
InChIKeySGRSQNISAYWCTM-UHFFFAOYSA-N
XLogP0.31
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 107324418
3-amino-1-(1-anilino-1-oxopropan-2-yl)pyrrolidine-3-carboxylic acid
CID 107324285
3-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid
CID 107325006
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide
CID 120775751
N-cyclohexyl-2-[4-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 115305201
3-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid
CID 107324760
1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-propylpyrrolidine-3-carboxylic acid
CID 55165973
2-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-cyclopropylpropanamide
CID 60573199
2-(4-acetylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 123939055
(2S)-N-cyclopentyl-2-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide
CID 95129102

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid (CID 107324286) is 3-amino-1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid is CC(C(=O)NC1CCCCC1)N1CCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is SGRSQNISAYWCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-10(12(18)16-11-5-3-2-4-6-11)17-8-7-14(15,9-17)13(19)20/h10-11H,2-9,15H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-amino-1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid?
3-amino-1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).