4-methyl-2-(2-methylpentylcarbamoylamino)pentanoic acid

C13H26N2O3 — CID 55055578

IUPAC4-methyl-2-(2-methylpentylcarbamoylamino)pentanoic acid
SMILESCCCC(C)CNC(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-5-6-10(4)8-14-13(18)15-11(12(16)17)7-9(2)3/h9-11H,5-8H2,1-4H3,(H,16,17)(H2,14,15,18)
InChIKeyDTMWQQRFEBEYGM-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.22
Rot. Bonds8

About 4-methyl-2-(2-methylpentylcarbamoylamino)pentanoic acid

4-methyl-2-(2-methylpentylcarbamoylamino)pentanoic acid (PubChem CID 55055578) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpentylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(2-methylpentylcarbamoylamino)pentanoic acid
PubChem CID55055578
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name4-methyl-2-(2-methylpentylcarbamoylamino)pentanoic acid
SMILESCCCC(C)CNC(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-5-6-10(4)8-14-13(18)15-11(12(16)17)7-9(2)3/h9-11H,5-8H2,1-4H3,(H,16,17)(H2,14,15,18)
InChIKeyDTMWQQRFEBEYGM-UHFFFAOYSA-N
XLogP2.22
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid
CID 7640764
2-(2-methylpropylcarbamoylamino)pentanoic acid
CID 16790600
(2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid
CID 102907074
(2R)-4-methyl-2-(3-methylhexanoylamino)pentanoic acid
CID 119363291
4-methyl-2-(3-methylhexanoylamino)pentanoic acid
CID 119188349
2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]pentanoic acid
CID 63957961
4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
CID 5203078
(2S)-2-(2-methylbutylcarbamoylamino)hexanoic acid
CID 107146017
4-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43209722
(2S)-4-methyl-2-[[2-(3-methylhexanoylamino)acetyl]amino]pentanoic acid
CID 120694809
(2S)-4-methyl-2-(4-methylpentylcarbamoylamino)pentanoic acid
CID 63003592
(2S)-4-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]pentanoic acid
CID 61202686

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpentylcarbamoylamino)pentanoic acid?
The IUPAC name of 4-methyl-2-(2-methylpentylcarbamoylamino)pentanoic acid (CID 55055578) is 4-methyl-2-(2-methylpentylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(2-methylpentylcarbamoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(2-methylpentylcarbamoylamino)pentanoic acid is CCCC(C)CNC(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-(2-methylpentylcarbamoylamino)pentanoic acid?
The InChIKey is DTMWQQRFEBEYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-6-10(4)8-14-13(18)15-11(12(16)17)7-9(2)3/h9-11H,5-8H2,1-4H3,(H,16,17)(H2,14,15,18).
What are the key properties of 4-methyl-2-(2-methylpentylcarbamoylamino)pentanoic acid?
4-methyl-2-(2-methylpentylcarbamoylamino)pentanoic acid has a molecular weight of 258.36 g/mol, XLogP of 2.22, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpentylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 55055578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).