2-[(carbamoylamino)methyl]-3-methylbutanoic acid

C7H14N2O3 — CID 65218090

IUPAC2-[(carbamoylamino)methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(N)=O)C(=O)O
InChIInChI=1S/C7H14N2O3/c1-4(2)5(6(10)11)3-9-7(8)12/h4-5H,3H2,1-2H3,(H,10,11)(H3,8,9,12)
InChIKeyYOGXVRNXAWYZJJ-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.01
Rot. Bonds4

About 2-[(carbamoylamino)methyl]-3-methylbutanoic acid

2-[(carbamoylamino)methyl]-3-methylbutanoic acid (PubChem CID 65218090) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-[(carbamoylamino)methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(carbamoylamino)methyl]-3-methylbutanoic acid
PubChem CID65218090
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name2-[(carbamoylamino)methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(N)=O)C(=O)O
InChIInChI=1S/C7H14N2O3/c1-4(2)5(6(10)11)3-9-7(8)12/h4-5H,3H2,1-2H3,(H,10,11)(H3,8,9,12)
InChIKeyYOGXVRNXAWYZJJ-UHFFFAOYSA-N
XLogP0.01
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid
CID 79011963
2-[(2,3-dimethylbutanoylamino)methyl]-3-methylbutanoic acid
CID 65219944
2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224533
2-[(4-aminopentanoylamino)methyl]-3-methylbutanoic acid
CID 65223873
2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]-3-methylbutanoic acid
CID 65224439
3-methyl-2-[(prop-2-enoxycarbonylamino)methyl]butanoic acid
CID 65220019
2-[(2,2-dimethylpropylcarbamoylamino)methyl]-3-methylbutanoic acid
CID 65223478
3-methyl-2-[(3-methylbut-2-enoylamino)methyl]butanoic acid
CID 65219891
2-[[(2-acetamidoacetyl)amino]methyl]-3-methylbutanoic acid
CID 65215296
2-[(6-aminohexanoylamino)methyl]-3-methylbutanoic acid
CID 65224486
2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-3-methylbutanoic acid
CID 65224075
2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224019

Frequently Asked Questions

What is the IUPAC name of 2-[(carbamoylamino)methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[(carbamoylamino)methyl]-3-methylbutanoic acid (CID 65218090) is 2-[(carbamoylamino)methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(carbamoylamino)methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[(carbamoylamino)methyl]-3-methylbutanoic acid is CC(C)C(CNC(N)=O)C(=O)O.
What is the InChIKey of 2-[(carbamoylamino)methyl]-3-methylbutanoic acid?
The InChIKey is YOGXVRNXAWYZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4(2)5(6(10)11)3-9-7(8)12/h4-5H,3H2,1-2H3,(H,10,11)(H3,8,9,12).
What are the key properties of 2-[(carbamoylamino)methyl]-3-methylbutanoic acid?
2-[(carbamoylamino)methyl]-3-methylbutanoic acid has a molecular weight of 174.20 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(carbamoylamino)methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65218090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).