(2R)-4-(formylcarbamoylamino)-2,4-dimethylpentanoic acid

C9H16N2O4 — CID 166781014

IUPAC(2R)-4-(formylcarbamoylamino)-2,4-dimethylpentanoic acid
SMILESC[C@H](CC(C)(C)NC(=O)NC=O)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-6(7(13)14)4-9(2,3)11-8(15)10-5-12/h5-6H,4H2,1-3H3,(H,13,14)(H2,10,11,12,15)/t6-/m1/s1
InChIKeyHXGQHENZCJPQMP-ZCFIWIBFSA-N
MW216.24 g/mol
LogP0.33
Rot. Bonds5

About (2R)-4-(formylcarbamoylamino)-2,4-dimethylpentanoic acid

(2R)-4-(formylcarbamoylamino)-2,4-dimethylpentanoic acid (PubChem CID 166781014) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2R)-4-(formylcarbamoylamino)-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name(2R)-4-(formylcarbamoylamino)-2,4-dimethylpentanoic acid
PubChem CID166781014
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name(2R)-4-(formylcarbamoylamino)-2,4-dimethylpentanoic acid
SMILESC[C@H](CC(C)(C)NC(=O)NC=O)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-6(7(13)14)4-9(2,3)11-8(15)10-5-12/h5-6H,4H2,1-3H3,(H,13,14)(H2,10,11,12,15)/t6-/m1/s1
InChIKeyHXGQHENZCJPQMP-ZCFIWIBFSA-N
XLogP0.33
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(4-Methylpentan-2-ylcarbamoylamino)-4-oxobutanoic acid
CID 43372477
4-(2-Methylpentan-3-ylcarbamoylamino)-4-oxobutanoic acid
CID 54954838
4-Methyl-4-(oxan-4-ylmethylcarbamoylamino)pentanoic acid
CID 55227814
4-(3-Ethylpentan-2-ylcarbamoylamino)-4-methylpentanoic acid
CID 55259595
4-(Ethylcarbamoylamino)-4-methylpentanoic acid
CID 62043316
4-Methyl-4-(propan-2-ylcarbamoylamino)pentanoic acid
CID 62043519
4-(Butylcarbamoylamino)-4-methylpentanoic acid
CID 62043520
4-Methyl-4-(propylcarbamoylamino)pentanoic acid
CID 62043521
4-Methyl-4-(methylcarbamoylamino)pentanoic acid
CID 62047598
4-[2-(Dimethylamino)ethylcarbamoylamino]-4-methylpentanoic acid
CID 62047599
4-(3-Methoxypropylcarbamoylamino)-4-methylpentanoic acid
CID 62047792
4-(1-Cyclopropylethylcarbamoylamino)-4-methylpentanoic acid
CID 62047793

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(formylcarbamoylamino)-2,4-dimethylpentanoic acid?
The IUPAC name of (2R)-4-(formylcarbamoylamino)-2,4-dimethylpentanoic acid (CID 166781014) is (2R)-4-(formylcarbamoylamino)-2,4-dimethylpentanoic acid.
What is the SMILES notation for (2R)-4-(formylcarbamoylamino)-2,4-dimethylpentanoic acid?
The canonical SMILES for (2R)-4-(formylcarbamoylamino)-2,4-dimethylpentanoic acid is C[C@H](CC(C)(C)NC(=O)NC=O)C(=O)O.
What is the InChIKey of (2R)-4-(formylcarbamoylamino)-2,4-dimethylpentanoic acid?
The InChIKey is HXGQHENZCJPQMP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6(7(13)14)4-9(2,3)11-8(15)10-5-12/h5-6H,4H2,1-3H3,(H,13,14)(H2,10,11,12,15)/t6-/m1/s1.
What are the key properties of (2R)-4-(formylcarbamoylamino)-2,4-dimethylpentanoic acid?
(2R)-4-(formylcarbamoylamino)-2,4-dimethylpentanoic acid has a molecular weight of 216.24 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(formylcarbamoylamino)-2,4-dimethylpentanoic acid is sourced from PubChem (CID 166781014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).