4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-propan-2-ylamino]butanoic acid

C14H25N3O4 — CID 79380827

IUPAC4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C14H25N3O4/c1-10(2)17(9-3-4-13(19)20)14(21)15-8-7-12(18)16-11-5-6-11/h10-11H,3-9H2,1-2H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyDTKQUJJWPVFKQF-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.94
Rot. Bonds9

About 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-propan-2-ylamino]butanoic acid

4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-propan-2-ylamino]butanoic acid (PubChem CID 79380827) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-propan-2-ylamino]butanoic acid
PubChem CID79380827
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C14H25N3O4/c1-10(2)17(9-3-4-13(19)20)14(21)15-8-7-12(18)16-11-5-6-11/h10-11H,3-9H2,1-2H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyDTKQUJJWPVFKQF-UHFFFAOYSA-N
XLogP0.94
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-propan-2-ylamino]butanoic acid with MolForge

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Related Compounds

4-[2-cyclopentylethylcarbamoyl(propan-2-yl)amino]butanoic acid
CID 61205751
3-[cyclopropylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61187933
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid
CID 79400880
4-[pent-4-ynylcarbamoyl(propan-2-yl)amino]butanoic acid
CID 106222810
3-[piperidin-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61402752
4-[(2-methyloxolan-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
CID 82728453
3-[oxan-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61202946
4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid
CID 79400919
4-[(1-methylcyclobutyl)methylcarbamoyl-propan-2-ylamino]butanoic acid
CID 114108798
4-[(5-oxopyrrolidin-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
CID 106192096
2-cyano-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
CID 79401165
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-3-methylbutanoic acid
CID 81070679

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-propan-2-ylamino]butanoic acid (CID 79380827) is 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)NCCC(=O)NC1CC1.
What is the InChIKey of 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-propan-2-ylamino]butanoic acid?
The InChIKey is DTKQUJJWPVFKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-10(2)17(9-3-4-13(19)20)14(21)15-8-7-12(18)16-11-5-6-11/h10-11H,3-9H2,1-2H3,(H,15,21)(H,16,18)(H,19,20).
What are the key properties of 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-propan-2-ylamino]butanoic acid?
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-propan-2-ylamino]butanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.94, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 79380827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).