4-methyl-5-[(3-methyloxan-4-yl)carbamoylamino]pentanoic acid

C13H24N2O4 — CID 114241256

IUPAC4-methyl-5-[(3-methyloxan-4-yl)carbamoylamino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)NC1CCOCC1C
InChIInChI=1S/C13H24N2O4/c1-9(3-4-12(16)17)7-14-13(18)15-11-5-6-19-8-10(11)2/h9-11H,3-8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyHBAAXGPJMQGPIZ-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.21
Rot. Bonds6

About 4-methyl-5-[(3-methyloxan-4-yl)carbamoylamino]pentanoic acid

4-methyl-5-[(3-methyloxan-4-yl)carbamoylamino]pentanoic acid (PubChem CID 114241256) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-methyl-5-[(3-methyloxan-4-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[(3-methyloxan-4-yl)carbamoylamino]pentanoic acid
PubChem CID114241256
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-methyl-5-[(3-methyloxan-4-yl)carbamoylamino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)NC1CCOCC1C
InChIInChI=1S/C13H24N2O4/c1-9(3-4-12(16)17)7-14-13(18)15-11-5-6-19-8-10(11)2/h9-11H,3-8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyHBAAXGPJMQGPIZ-UHFFFAOYSA-N
XLogP1.21
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-methyloxan-4-yl)carbamoylamino]hexanoic acid
CID 114241226
5-(cyclohexylcarbamoylamino)-4-methylpentanoic acid
CID 82684243
(2S)-2-amino-N-(3-methyloxan-4-yl)propanamide
CID 130491694
5-(cyclopropanecarbonylamino)-4-methylpentanoic acid
CID 82010371
5-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-4-methylpentanoic acid
CID 82014997
5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 82013036
5-[(2,5-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
CID 82687889
6-[(3,5-dimethylcyclohexyl)carbamoylamino]-4-methylhexanoic acid
CID 64733713
2-[[(2-methyloxolan-3-yl)carbamoylamino]methyl]butanoic acid
CID 82727899
4-methyl-5-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 107297551
5-(cyclohexylamino)-4-methylpentanoic acid
CID 82933568
3-methyl-4-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)butanoic acid
CID 81071061

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(3-methyloxan-4-yl)carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-5-[(3-methyloxan-4-yl)carbamoylamino]pentanoic acid (CID 114241256) is 4-methyl-5-[(3-methyloxan-4-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[(3-methyloxan-4-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[(3-methyloxan-4-yl)carbamoylamino]pentanoic acid is CC(CCC(=O)O)CNC(=O)NC1CCOCC1C.
What is the InChIKey of 4-methyl-5-[(3-methyloxan-4-yl)carbamoylamino]pentanoic acid?
The InChIKey is HBAAXGPJMQGPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(3-4-12(16)17)7-14-13(18)15-11-5-6-19-8-10(11)2/h9-11H,3-8H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 4-methyl-5-[(3-methyloxan-4-yl)carbamoylamino]pentanoic acid?
4-methyl-5-[(3-methyloxan-4-yl)carbamoylamino]pentanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(3-methyloxan-4-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 114241256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).