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

C13H26N2O3 — CID 78976356

IUPAC(2R)-4-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid
SMILESCCC(C)C(C)NC(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-6-9(4)10(5)14-13(18)15-11(12(16)17)7-8(2)3/h8-11H,6-7H2,1-5H3,(H,16,17)(H2,14,15,18)/t9?,10?,11-/m1/s1
InChIKeyVXRFAOMXJKGVFY-VQXHTEKXSA-N
MW258.36 g/mol
LogP2.22
Rot. Bonds7

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

(2R)-4-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid (PubChem CID 78976356) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2R)-4-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid
PubChem CID78976356
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(2R)-4-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid
SMILESCCC(C)C(C)NC(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-6-9(4)10(5)14-13(18)15-11(12(16)17)7-8(2)3/h8-11H,6-7H2,1-5H3,(H,16,17)(H2,14,15,18)/t9?,10?,11-/m1/s1
InChIKeyVXRFAOMXJKGVFY-VQXHTEKXSA-N
XLogP2.22
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
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)-4-methyl-2-(3-methylbutan-2-ylcarbamoylamino)pentanoic acid
CID 78976126
(2S)-4-methoxy-2-(3-methylpentan-2-ylcarbamoylamino)-4-oxobutanoic acid
CID 63305245
(2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61465945
(2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid
CID 30070504
2-(2,3-dimethylpentanoylamino)-4-methylpentanoic acid
CID 20766230
(2S,3S)-3-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid
CID 54955257
(2R)-4-methyl-2-(pent-1-yn-3-ylcarbamoylamino)pentanoic acid
CID 106232168
1-(3-methylpentan-2-yl)-3-propan-2-ylurea
CID 115591147
2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylpentanoic acid
CID 61479018
2-[[(1S)-1-carboxy-3-methylbutyl]carbamoylamino]pentanedioic acid
CID 88542905
(2S)-2-[(4-methoxy-4-oxobutan-2-yl)carbamoylamino]-4-methylpentanoic acid
CID 114283978
(2R)-2-(hex-5-yn-3-ylcarbamoylamino)-4-methylpentanoic acid
CID 104864322

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid (CID 78976356) is (2R)-4-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid is CCC(C)C(C)NC(=O)N[C@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid?
The InChIKey is VXRFAOMXJKGVFY-VQXHTEKXSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-6-9(4)10(5)14-13(18)15-11(12(16)17)7-8(2)3/h8-11H,6-7H2,1-5H3,(H,16,17)(H2,14,15,18)/t9?,10?,11-/m1/s1.
What are the key properties of (2R)-4-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid?
(2R)-4-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid has a molecular weight of 258.36 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 78976356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).