(2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid

C8H16N2O3 — CID 30070504

IUPAC(2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid
SMILESCNC(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-5(2)4-6(7(11)12)10-8(13)9-3/h5-6H,4H2,1-3H3,(H,11,12)(H2,9,10,13)/t6-/m1/s1
InChIKeySHTMNHNQSYVSLV-ZCFIWIBFSA-N
MW188.23 g/mol
LogP0.41
Rot. Bonds4

About (2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid

(2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid (PubChem CID 30070504) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid
PubChem CID30070504
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid
SMILESCNC(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-5(2)4-6(7(11)12)10-8(13)9-3/h5-6H,4H2,1-3H3,(H,11,12)(H2,9,10,13)/t6-/m1/s1
InChIKeySHTMNHNQSYVSLV-ZCFIWIBFSA-N
XLogP0.41
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.41
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-methyl-2-(6-methylheptan-2-ylcarbamoylamino)pentanoic acid
CID 61471236
(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397
(2S)-4-methyl-2-(4-methylpentylcarbamoylamino)pentanoic acid
CID 63003592
(2R)-2-[[(2R)-2-hydroxypropyl]carbamoylamino]-4-methylpentanoic acid
CID 7640764
2-[[(1S)-1-carboxy-3-methylbutyl]carbamoylamino]pentanedioic acid
CID 88542905
4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
CID 5203078
4-methyl-2-(5-methylhexylcarbamoylamino)pentanoic acid
CID 115326694
4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid
CID 79202207
(2R)-2-(but-3-yn-2-ylcarbamoylamino)-4-methylpentanoic acid
CID 104921710
2-(but-3-yn-2-ylcarbamoylamino)-4-methylpentanoic acid
CID 114418524
(2S)-4-methyl-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pentanoic acid
CID 102907074

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid (CID 30070504) is (2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid is CNC(=O)N[C@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid?
The InChIKey is SHTMNHNQSYVSLV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(2)4-6(7(11)12)10-8(13)9-3/h5-6H,4H2,1-3H3,(H,11,12)(H2,9,10,13)/t6-/m1/s1.
What are the key properties of (2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid?
(2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid has a molecular weight of 188.23 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 30070504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).