3-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]propanoic acid

C15H26N2O3 — CID 56866045

IUPAC3-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]propanoic acid
SMILESCC(C)C1CN(CCC(=O)O)CCC(=O)N1CC1CC1
InChIInChI=1S/C15H26N2O3/c1-11(2)13-10-16(8-6-15(19)20)7-5-14(18)17(13)9-12-3-4-12/h11-13H,3-10H2,1-2H3,(H,19,20)
InChIKeyGCVPVFULPNBPTH-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.43
Rot. Bonds6

About 3-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]propanoic acid

3-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]propanoic acid (PubChem CID 56866045) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]propanoic acid
PubChem CID56866045
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]propanoic acid
SMILESCC(C)C1CN(CCC(=O)O)CCC(=O)N1CC1CC1
InChIInChI=1S/C15H26N2O3/c1-11(2)13-10-16(8-6-15(19)20)7-5-14(18)17(13)9-12-3-4-12/h11-13H,3-10H2,1-2H3,(H,19,20)
InChIKeyGCVPVFULPNBPTH-UHFFFAOYSA-N
XLogP1.43
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[(3S)-4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]acetamide
CID 95455732
(3R)-1-benzyl-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-5-one
CID 95525331
(3S)-4-(cyclopropylmethyl)-1-[(2,3-difluorophenyl)methyl]-3-propan-2-yl-1,4-diazepan-5-one
CID 95502484
5-[[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 56864121
(3S)-4-(cyclopropylmethyl)-3-propan-2-yl-1-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-5-one
CID 95543216
3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid
CID 43560613
4-(cyclopropylmethyl)-3-propan-2-yl-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1,4-diazepan-5-one
CID 56870343
3-[(3S)-4-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-N,N-dimethylpropanamide
CID 95524892
4-(cyclopropylmethyl)-3-propan-2-yl-1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-1,4-diazepan-5-one
CID 56895019
3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid
CID 114509620
(3S)-1-[(3-cyclohexylimidazol-4-yl)methyl]-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-5-one
CID 95445373
(3R)-1-(1H-benzimidazol-2-ylmethyl)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-5-one
CID 95553813

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]propanoic acid?
The IUPAC name of 3-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]propanoic acid (CID 56866045) is 3-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]propanoic acid is CC(C)C1CN(CCC(=O)O)CCC(=O)N1CC1CC1.
What is the InChIKey of 3-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]propanoic acid?
The InChIKey is GCVPVFULPNBPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(2)13-10-16(8-6-15(19)20)7-5-14(18)17(13)9-12-3-4-12/h11-13H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 3-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]propanoic acid?
3-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]propanoic acid has a molecular weight of 282.38 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylmethyl)-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]propanoic acid is sourced from PubChem (CID 56866045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).