4-[methyl-[methyl(oxan-4-ylmethyl)carbamoyl]amino]butanoic acid

C13H24N2O4 — CID 63707414

IUPAC4-[methyl-[methyl(oxan-4-ylmethyl)carbamoyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)N(C)CC1CCOCC1
InChIInChI=1S/C13H24N2O4/c1-14(7-3-4-12(16)17)13(18)15(2)10-11-5-8-19-9-6-11/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyJEMDXAYXEVRDDQ-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.26
Rot. Bonds6

About 4-[methyl-[methyl(oxan-4-ylmethyl)carbamoyl]amino]butanoic acid

4-[methyl-[methyl(oxan-4-ylmethyl)carbamoyl]amino]butanoic acid (PubChem CID 63707414) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-[methyl-[methyl(oxan-4-ylmethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[methyl(oxan-4-ylmethyl)carbamoyl]amino]butanoic acid
PubChem CID63707414
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-[methyl-[methyl(oxan-4-ylmethyl)carbamoyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)N(C)CC1CCOCC1
InChIInChI=1S/C13H24N2O4/c1-14(7-3-4-12(16)17)13(18)15(2)10-11-5-8-19-9-6-11/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyJEMDXAYXEVRDDQ-UHFFFAOYSA-N
XLogP1.26
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopropylmethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid
CID 55000266
4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 63655749
3-[ethyl(oxan-4-ylmethyl)amino]propanoic acid
CID 62386265
4-[[cyclopropyl(ethyl)carbamoyl]-methylamino]butanoic acid
CID 43264449
(2S)-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanedioic acid
CID 63707575
2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 63656971
4-[methyl-[2-(oxan-4-ylamino)-2-oxoethyl]amino]butanoic acid
CID 63097843
5-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide
CID 82852241
5-(oxolan-3-yl)pentanoic acid
CID 142409072
N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide
CID 110752395
4-[(4-aminooxane-4-carbonyl)-methylamino]butanoic acid
CID 113280677
cis-(1R,3S)-2,2-dimethyl-3-[methyl(oxan-4-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114092348

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[methyl(oxan-4-ylmethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[methyl(oxan-4-ylmethyl)carbamoyl]amino]butanoic acid (CID 63707414) is 4-[methyl-[methyl(oxan-4-ylmethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[methyl(oxan-4-ylmethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[methyl(oxan-4-ylmethyl)carbamoyl]amino]butanoic acid is CN(CCCC(=O)O)C(=O)N(C)CC1CCOCC1.
What is the InChIKey of 4-[methyl-[methyl(oxan-4-ylmethyl)carbamoyl]amino]butanoic acid?
The InChIKey is JEMDXAYXEVRDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-14(7-3-4-12(16)17)13(18)15(2)10-11-5-8-19-9-6-11/h11H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 4-[methyl-[methyl(oxan-4-ylmethyl)carbamoyl]amino]butanoic acid?
4-[methyl-[methyl(oxan-4-ylmethyl)carbamoyl]amino]butanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[methyl(oxan-4-ylmethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 63707414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).