4-methyl-5-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid

C13H26N2O3 — CID 82688255

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

About 4-methyl-5-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid

4-methyl-5-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid (PubChem CID 82688255) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-methyl-5-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid
PubChem CID82688255
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name4-methyl-5-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid
SMILESCCC(C)C(C)NC(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C13H26N2O3/c1-5-10(3)11(4)15-13(18)14-8-9(2)6-7-12(16)17/h9-11H,5-8H2,1-4H3,(H,16,17)(H2,14,15,18)
InChIKeyYNPDJVMWSXGPHV-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

5-(2-ethylbutanoylamino)-4-methylpentanoic acid
CID 82010608
5-(methoxycarbonylamino)-4-methylpentanoic acid
CID 82017023
4-methyl-5-(4-methylsulfinylbutan-2-ylcarbamoylamino)pentanoic acid
CID 113493644
4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
CID 82014412
4-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 82014749
(2S,3S)-3-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid
CID 54955257
5-(diethylcarbamoylamino)-4-methylpentanoic acid
CID 82684112
5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
CID 82688722
5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid
CID 103513451
3-(2-methylbutylcarbamoylamino)butanoic acid
CID 62691851
1-(3-methylpentan-2-yl)-3-propan-2-ylurea
CID 115591147
5-[(1-ethylcyclobutyl)carbamoylamino]-4-methylpentanoic acid
CID 113488992

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid?
The IUPAC name of 4-methyl-5-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid (CID 82688255) is 4-methyl-5-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-5-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-5-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid is CCC(C)C(C)NC(=O)NCC(C)CCC(=O)O.
What is the InChIKey of 4-methyl-5-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid?
The InChIKey is YNPDJVMWSXGPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-10(3)11(4)15-13(18)14-8-9(2)6-7-12(16)17/h9-11H,5-8H2,1-4H3,(H,16,17)(H2,14,15,18).
What are the key properties of 4-methyl-5-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid?
4-methyl-5-(3-methylpentan-2-ylcarbamoylamino)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-5-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 82688255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).