2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid

C10H20N2O3 — CID 106330759

IUPAC2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid
SMILESCCC(C)(CC)NC(=O)NC(C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-5-10(4,6-2)12-9(15)11-7(3)8(13)14/h7H,5-6H2,1-4H3,(H,13,14)(H2,11,12,15)
InChIKeyJBUPAKGYEFPSLP-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.34
Rot. Bonds5

About 2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid

2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid (PubChem CID 106330759) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid
PubChem CID106330759
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid
SMILESCCC(C)(CC)NC(=O)NC(C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-5-10(4,6-2)12-9(15)11-7(3)8(13)14/h7H,5-6H2,1-4H3,(H,13,14)(H2,11,12,15)
InChIKeyJBUPAKGYEFPSLP-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-hydroxy-2-(3-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 106330722
(2S)-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid
CID 78974776
2-(3-methylpentan-3-ylamino)propanoic acid
CID 103829131
(2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid
CID 103463188
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
(2S)-2-(3-methylpentan-3-ylcarbamoylamino)pentanedioic acid
CID 114174501
(2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid
CID 78971835
2-(3-methylpentan-3-ylcarbamoylamino)pent-4-enoic acid
CID 106330764
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
4,4-dimethyl-2-[(3-methylpentan-3-ylcarbamoylamino)methyl]pentanoic acid
CID 106330622
2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 110490509
3-methyl-5-(3-methylpentan-3-ylamino)-5-oxopentanoic acid
CID 106328220

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid?
The IUPAC name of 2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid (CID 106330759) is 2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid is CCC(C)(CC)NC(=O)NC(C)C(=O)O.
What is the InChIKey of 2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid?
The InChIKey is JBUPAKGYEFPSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-10(4,6-2)12-9(15)11-7(3)8(13)14/h7H,5-6H2,1-4H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid?
2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 106330759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).