4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid

C11H19N3O4 — CID 79400919

IUPAC4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C11H19N3O4/c12-8(3-4-10(16)17)11(18)13-6-5-9(15)14-7-1-2-7/h7-8H,1-6,12H2,(H,13,18)(H,14,15)(H,16,17)
InChIKeyAZFTUBWSRMSQPZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP-1.04
Rot. Bonds8

About 4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid

4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid (PubChem CID 79400919) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid
PubChem CID79400919
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C11H19N3O4/c12-8(3-4-10(16)17)11(18)13-6-5-9(15)14-7-1-2-7/h7-8H,1-6,12H2,(H,13,18)(H,14,15)(H,16,17)
InChIKeyAZFTUBWSRMSQPZ-UHFFFAOYSA-N
XLogP-1.04
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]pentanamide
CID 79401443
3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 79400915
(2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide
CID 79401066
4-amino-5-[(4-ethylcyclohexyl)amino]-5-oxopentanoic acid
CID 64888758
(2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
CID 79401766
4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid
CID 64887954
N-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide
CID 103515809
4-amino-5-(oxan-4-ylamino)-5-oxopentanoic acid
CID 64896395
4-amino-5-[[(1S)-1-cyclopentylethyl]amino]-5-oxopentanoic acid
CID 81391187
N-[3-(cyclopropylamino)-3-oxopropyl]-2-(methylamino)propanamide
CID 79400764
(2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119299474
4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid
CID 64890076

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid (CID 79400919) is 4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)NCCC(=O)NC1CC1.
What is the InChIKey of 4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid?
The InChIKey is AZFTUBWSRMSQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c12-8(3-4-10(16)17)11(18)13-6-5-9(15)14-7-1-2-7/h7-8H,1-6,12H2,(H,13,18)(H,14,15)(H,16,17).
What are the key properties of 4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid?
4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid has a molecular weight of 257.29 g/mol, XLogP of -1.04, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 79400919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).