(2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid

C10H20N2O3 — CID 78972526

IUPAC(2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid
SMILESCC(C)CC(C)NC(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-6(2)5-7(3)11-10(15)12-8(4)9(13)14/h6-8H,5H2,1-4H3,(H,13,14)(H2,11,12,15)/t7?,8-/m1/s1
InChIKeyLNQMZVDDBNVEST-BRFYHDHCSA-N
MW216.28 g/mol
LogP1.19
Rot. Bonds5

About (2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid

(2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid (PubChem CID 78972526) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid
PubChem CID78972526
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid
SMILESCC(C)CC(C)NC(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-6(2)5-7(3)11-10(15)12-8(4)9(13)14/h6-8H,5H2,1-4H3,(H,13,14)(H2,11,12,15)/t7?,8-/m1/s1
InChIKeyLNQMZVDDBNVEST-BRFYHDHCSA-N
XLogP1.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
3-methyl-2-(4-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 61198782
(2S)-2-[[(1S)-1-carboxyethyl]carbamoylamino]-4-methylpentanedioic acid
CID 167021445
(2S)-2-(4-methylpentan-2-ylcarbamoylamino)hexanoic acid
CID 107145488
2-(2,4-dimethylpentanoylamino)propanoic acid
CID 90967232
(2R)-2-(4-methylpentan-2-ylcarbamoylamino)hexanedioic acid
CID 107838383
2-(4-methylpentan-2-ylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 61198592
5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61199539
2-methyl-4-(4-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 80540549
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
2-[1-(4-fluorophenyl)propan-2-ylcarbamoylamino]propanoic acid
CID 62997070
(2S)-2-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 54953860

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid?
The IUPAC name of (2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid (CID 78972526) is (2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid?
The canonical SMILES for (2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid is CC(C)CC(C)NC(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid?
The InChIKey is LNQMZVDDBNVEST-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-6(2)5-7(3)11-10(15)12-8(4)9(13)14/h6-8H,5H2,1-4H3,(H,13,14)(H2,11,12,15)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid?
(2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 78972526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).