4-amino-2-[3-(cyclopropylamino)propanoylamino]-4-oxobutanoic acid

C10H17N3O4 — CID 61158477

IUPAC4-amino-2-[3-(cyclopropylamino)propanoylamino]-4-oxobutanoic acid
SMILESNC(=O)CC(NC(=O)CCNC1CC1)C(=O)O
InChIInChI=1S/C10H17N3O4/c11-8(14)5-7(10(16)17)13-9(15)3-4-12-6-1-2-6/h6-7,12H,1-5H2,(H2,11,14)(H,13,15)(H,16,17)
InChIKeyKPVSEKXKPDPPCM-UHFFFAOYSA-N
MW243.26 g/mol
LogP-1.43
Rot. Bonds8

About 4-amino-2-[3-(cyclopropylamino)propanoylamino]-4-oxobutanoic acid

4-amino-2-[3-(cyclopropylamino)propanoylamino]-4-oxobutanoic acid (PubChem CID 61158477) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-amino-2-[3-(cyclopropylamino)propanoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[3-(cyclopropylamino)propanoylamino]-4-oxobutanoic acid
PubChem CID61158477
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name4-amino-2-[3-(cyclopropylamino)propanoylamino]-4-oxobutanoic acid
SMILESNC(=O)CC(NC(=O)CCNC1CC1)C(=O)O
InChIInChI=1S/C10H17N3O4/c11-8(14)5-7(10(16)17)13-9(15)3-4-12-6-1-2-6/h6-7,12H,1-5H2,(H2,11,14)(H,13,15)(H,16,17)
InChIKeyKPVSEKXKPDPPCM-UHFFFAOYSA-N
XLogP-1.43
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-1.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-[3-(cyclopropylamino)propanoylamino]-5-oxopentanoic acid
CID 61156701
(2S)-4-amino-2-[[2-(cyclopropylamino)acetyl]amino]-4-oxobutanoic acid
CID 107824702
2-[3-(cyclopropylamino)propanoylamino]-4-phenylbutanoic acid
CID 114917573
(2R)-4-amino-2-[4-(methylamino)butanoylamino]-4-oxobutanoic acid
CID 103870299
4-amino-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4-oxobutanoic acid
CID 43171415
4-amino-4-oxo-2-(pentanoylamino)butanoic acid
CID 43175996
(2S)-4-amino-4-oxo-2-[3-(oxolan-2-yl)propanoylamino]butanoic acid
CID 55230932
4-amino-4-oxo-2-[3-(oxolan-2-yl)propanoylamino]butanoic acid
CID 43357092
3-(cyclopropylamino)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 65314564
4-amino-2-(3-methylsulfonylpropanoylamino)-4-oxobutanoic acid
CID 43357084
(2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid
CID 102500690
(2R)-4-amino-2-(decanoylamino)-4-oxobutanoic acid
CID 107821192

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[3-(cyclopropylamino)propanoylamino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[3-(cyclopropylamino)propanoylamino]-4-oxobutanoic acid (CID 61158477) is 4-amino-2-[3-(cyclopropylamino)propanoylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[3-(cyclopropylamino)propanoylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[3-(cyclopropylamino)propanoylamino]-4-oxobutanoic acid is NC(=O)CC(NC(=O)CCNC1CC1)C(=O)O.
What is the InChIKey of 4-amino-2-[3-(cyclopropylamino)propanoylamino]-4-oxobutanoic acid?
The InChIKey is KPVSEKXKPDPPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c11-8(14)5-7(10(16)17)13-9(15)3-4-12-6-1-2-6/h6-7,12H,1-5H2,(H2,11,14)(H,13,15)(H,16,17).
What are the key properties of 4-amino-2-[3-(cyclopropylamino)propanoylamino]-4-oxobutanoic acid?
4-amino-2-[3-(cyclopropylamino)propanoylamino]-4-oxobutanoic acid has a molecular weight of 243.26 g/mol, XLogP of -1.43, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[3-(cyclopropylamino)propanoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 61158477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).