4-[(1-methylcyclobutyl)methylcarbamoyl-propan-2-ylamino]butanoic acid

C14H26N2O3 — CID 114108798

IUPAC4-[(1-methylcyclobutyl)methylcarbamoyl-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)NCC1(C)CCC1
InChIInChI=1S/C14H26N2O3/c1-11(2)16(9-4-6-12(17)18)13(19)15-10-14(3)7-5-8-14/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyHPEGQCCZGWBXSN-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds7

About 4-[(1-methylcyclobutyl)methylcarbamoyl-propan-2-ylamino]butanoic acid

4-[(1-methylcyclobutyl)methylcarbamoyl-propan-2-ylamino]butanoic acid (PubChem CID 114108798) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-[(1-methylcyclobutyl)methylcarbamoyl-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(1-methylcyclobutyl)methylcarbamoyl-propan-2-ylamino]butanoic acid
PubChem CID114108798
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-[(1-methylcyclobutyl)methylcarbamoyl-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)NCC1(C)CCC1
InChIInChI=1S/C14H26N2O3/c1-11(2)16(9-4-6-12(17)18)13(19)15-10-14(3)7-5-8-14/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyHPEGQCCZGWBXSN-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylcyclobutyl)methylcarbamoyl-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(1-methylcyclobutyl)methylcarbamoyl-propan-2-ylamino]butanoic acid (CID 114108798) is 4-[(1-methylcyclobutyl)methylcarbamoyl-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(1-methylcyclobutyl)methylcarbamoyl-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(1-methylcyclobutyl)methylcarbamoyl-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)NCC1(C)CCC1.
What is the InChIKey of 4-[(1-methylcyclobutyl)methylcarbamoyl-propan-2-ylamino]butanoic acid?
The InChIKey is HPEGQCCZGWBXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(2)16(9-4-6-12(17)18)13(19)15-10-14(3)7-5-8-14/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 4-[(1-methylcyclobutyl)methylcarbamoyl-propan-2-ylamino]butanoic acid?
4-[(1-methylcyclobutyl)methylcarbamoyl-propan-2-ylamino]butanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylcyclobutyl)methylcarbamoyl-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 114108798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).