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

C12H24N2O3 — CID 78976126

IUPAC(2R)-4-methyl-2-(3-methylbutan-2-ylcarbamoylamino)pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)NC(C)C(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-7(2)6-10(11(15)16)14-12(17)13-9(5)8(3)4/h7-10H,6H2,1-5H3,(H,15,16)(H2,13,14,17)/t9?,10-/m1/s1
InChIKeyYMAVRXCTSLVSJM-QVDQXJPCSA-N
MW244.33 g/mol
LogP1.83
Rot. Bonds6

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

(2R)-4-methyl-2-(3-methylbutan-2-ylcarbamoylamino)pentanoic acid (PubChem CID 78976126) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2R)-4-methyl-2-(3-methylbutan-2-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-(3-methylbutan-2-ylcarbamoylamino)pentanoic acid
PubChem CID78976126
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(2R)-4-methyl-2-(3-methylbutan-2-ylcarbamoylamino)pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)NC(C)C(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-7(2)6-10(11(15)16)14-12(17)13-9(5)8(3)4/h7-10H,6H2,1-5H3,(H,15,16)(H2,13,14,17)/t9?,10-/m1/s1
InChIKeyYMAVRXCTSLVSJM-QVDQXJPCSA-N
XLogP1.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-methyl-2-(3-methylpentan-2-ylcarbamoylamino)pentanoic acid
CID 78976356
(2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid
CID 30070504
(2S)-4-methyl-2-(6-methylheptan-2-ylcarbamoylamino)pentanoic acid
CID 61471236
2-[[(1S)-1-carboxy-3-methylbutyl]carbamoylamino]pentanedioic acid
CID 88542905
(2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid
CID 102907074
(2R)-2-(but-3-yn-2-ylcarbamoylamino)-4-methylpentanoic acid
CID 104921710
2-(but-3-yn-2-ylcarbamoylamino)-4-methylpentanoic acid
CID 114418524
(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397
(2S)-4-methyl-2-(4-methylpentylcarbamoylamino)pentanoic acid
CID 63003592
2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylpentanoic acid
CID 61479018
(2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid
CID 7640764
4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
CID 5203078

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(3-methylbutan-2-ylcarbamoylamino)pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-(3-methylbutan-2-ylcarbamoylamino)pentanoic acid (CID 78976126) is (2R)-4-methyl-2-(3-methylbutan-2-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-(3-methylbutan-2-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-(3-methylbutan-2-ylcarbamoylamino)pentanoic acid is CC(C)C[C@@H](NC(=O)NC(C)C(C)C)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-(3-methylbutan-2-ylcarbamoylamino)pentanoic acid?
The InChIKey is YMAVRXCTSLVSJM-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-7(2)6-10(11(15)16)14-12(17)13-9(5)8(3)4/h7-10H,6H2,1-5H3,(H,15,16)(H2,13,14,17)/t9?,10-/m1/s1.
What are the key properties of (2R)-4-methyl-2-(3-methylbutan-2-ylcarbamoylamino)pentanoic acid?
(2R)-4-methyl-2-(3-methylbutan-2-ylcarbamoylamino)pentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.83, 6 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-methylbutan-2-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 78976126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).