(2S)-4-methyl-2-(6-methylheptan-2-ylcarbamoylamino)pentanoic acid

C15H30N2O3 — CID 61471236

IUPAC(2S)-4-methyl-2-(6-methylheptan-2-ylcarbamoylamino)pentanoic acid
SMILESCC(C)CCCC(C)NC(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-10(2)7-6-8-12(5)16-15(20)17-13(14(18)19)9-11(3)4/h10-13H,6-9H2,1-5H3,(H,18,19)(H2,16,17,20)/t12?,13-/m0/s1
InChIKeyHBNFFDUJTIXFOW-ABLWVSNPSA-N
MW286.42 g/mol
LogP3.00
Rot. Bonds9

About (2S)-4-methyl-2-(6-methylheptan-2-ylcarbamoylamino)pentanoic acid

(2S)-4-methyl-2-(6-methylheptan-2-ylcarbamoylamino)pentanoic acid (PubChem CID 61471236) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is (2S)-4-methyl-2-(6-methylheptan-2-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-(6-methylheptan-2-ylcarbamoylamino)pentanoic acid
PubChem CID61471236
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name(2S)-4-methyl-2-(6-methylheptan-2-ylcarbamoylamino)pentanoic acid
SMILESCC(C)CCCC(C)NC(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-10(2)7-6-8-12(5)16-15(20)17-13(14(18)19)9-11(3)4/h10-13H,6-9H2,1-5H3,(H,18,19)(H2,16,17,20)/t12?,13-/m0/s1
InChIKeyHBNFFDUJTIXFOW-ABLWVSNPSA-N
XLogP3.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-methyl-2-(4-methylpentylcarbamoylamino)pentanoic acid
CID 63003592
(2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid
CID 30070504
(2S)-5-amino-2-(6-methylheptan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61471308
(2R)-4-methyl-2-(3-methylbutan-2-ylcarbamoylamino)pentanoic acid
CID 78976126
4-methyl-2-(5-methylhexylcarbamoylamino)pentanoic acid
CID 115326694
4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
CID 5203078
2-[[(1S)-1-carboxy-3-methylbutyl]carbamoylamino]pentanedioic acid
CID 88542905
(2S)-2-(4-methylpentan-2-ylcarbamoylamino)hexanoic acid
CID 107145488
(2S)-2-[(4-methoxy-4-oxobutan-2-yl)carbamoylamino]-4-methylpentanoic acid
CID 114283978
(2R)-2-(4-methylpentan-2-ylcarbamoylamino)hexanedioic acid
CID 107838383
3-hydroxy-2-(5-methylhexan-2-ylcarbamoylamino)propanoic acid
CID 63927768
1-ethyl-3-[(2R)-6-methylheptan-2-yl]urea
CID 94702761

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(6-methylheptan-2-ylcarbamoylamino)pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-(6-methylheptan-2-ylcarbamoylamino)pentanoic acid (CID 61471236) is (2S)-4-methyl-2-(6-methylheptan-2-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-(6-methylheptan-2-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-(6-methylheptan-2-ylcarbamoylamino)pentanoic acid is CC(C)CCCC(C)NC(=O)N[C@@H](CC(C)C)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-(6-methylheptan-2-ylcarbamoylamino)pentanoic acid?
The InChIKey is HBNFFDUJTIXFOW-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-10(2)7-6-8-12(5)16-15(20)17-13(14(18)19)9-11(3)4/h10-13H,6-9H2,1-5H3,(H,18,19)(H2,16,17,20)/t12?,13-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(6-methylheptan-2-ylcarbamoylamino)pentanoic acid?
(2S)-4-methyl-2-(6-methylheptan-2-ylcarbamoylamino)pentanoic acid has a molecular weight of 286.42 g/mol, XLogP of 3.00, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(6-methylheptan-2-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 61471236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).