2-[(2-methylpentan-3-ylcarbamoylamino)methyl]butanoic acid

C12H24N2O3 — CID 65223057

IUPAC2-[(2-methylpentan-3-ylcarbamoylamino)methyl]butanoic acid
SMILESCCC(CNC(=O)NC(CC)C(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-5-9(11(15)16)7-13-12(17)14-10(6-2)8(3)4/h8-10H,5-7H2,1-4H3,(H,15,16)(H2,13,14,17)
InChIKeyUEXNSMWEJVAUIX-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.83
Rot. Bonds7

About 2-[(2-methylpentan-3-ylcarbamoylamino)methyl]butanoic acid

2-[(2-methylpentan-3-ylcarbamoylamino)methyl]butanoic acid (PubChem CID 65223057) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[(2-methylpentan-3-ylcarbamoylamino)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(2-methylpentan-3-ylcarbamoylamino)methyl]butanoic acid
PubChem CID65223057
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[(2-methylpentan-3-ylcarbamoylamino)methyl]butanoic acid
SMILESCCC(CNC(=O)NC(CC)C(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-5-9(11(15)16)7-13-12(17)14-10(6-2)8(3)4/h8-10H,5-7H2,1-4H3,(H,15,16)(H2,13,14,17)
InChIKeyUEXNSMWEJVAUIX-UHFFFAOYSA-N
XLogP1.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
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

2-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]butanoic acid
CID 65221246
2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 61470917
(2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid
CID 107566471
(2S)-4-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 107826796
2-[(hexan-3-ylcarbamoylamino)methyl]pentanoic acid
CID 65222200
2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid
CID 65224335
2-[(prop-2-ynylcarbamoylamino)methyl]butanoic acid
CID 65217556
2-(2-methylpentan-3-ylcarbamoylamino)hexanoic acid
CID 54954839
(2S)-2-(2-methylpentan-3-ylcarbamoylamino)pentanedioic acid
CID 61471190
2-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 106283453
2-[(4-methylpentanoylamino)methyl]butanoic acid
CID 65218039
2-[[(2-propan-2-ylsulfanylacetyl)amino]methyl]butanoic acid
CID 65218166

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpentan-3-ylcarbamoylamino)methyl]butanoic acid?
The IUPAC name of 2-[(2-methylpentan-3-ylcarbamoylamino)methyl]butanoic acid (CID 65223057) is 2-[(2-methylpentan-3-ylcarbamoylamino)methyl]butanoic acid.
What is the SMILES notation for 2-[(2-methylpentan-3-ylcarbamoylamino)methyl]butanoic acid?
The canonical SMILES for 2-[(2-methylpentan-3-ylcarbamoylamino)methyl]butanoic acid is CCC(CNC(=O)NC(CC)C(C)C)C(=O)O.
What is the InChIKey of 2-[(2-methylpentan-3-ylcarbamoylamino)methyl]butanoic acid?
The InChIKey is UEXNSMWEJVAUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-9(11(15)16)7-13-12(17)14-10(6-2)8(3)4/h8-10H,5-7H2,1-4H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(2-methylpentan-3-ylcarbamoylamino)methyl]butanoic acid?
2-[(2-methylpentan-3-ylcarbamoylamino)methyl]butanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpentan-3-ylcarbamoylamino)methyl]butanoic acid is sourced from PubChem (CID 65223057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).