3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid

C10H18N2O3 — CID 79391522

IUPAC3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid
SMILESCC(NCC(=O)NC1CC1)C(C)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-6(10(14)15)7(2)11-5-9(13)12-8-3-4-8/h6-8,11H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyZYHABRNMOOWNNX-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.04
Rot. Bonds6

About 3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid

3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid (PubChem CID 79391522) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid
PubChem CID79391522
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid
SMILESCC(NCC(=O)NC1CC1)C(C)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-6(10(14)15)7(2)11-5-9(13)12-8-3-4-8/h6-8,11H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyZYHABRNMOOWNNX-UHFFFAOYSA-N
XLogP-0.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-2-(propan-2-ylamino)acetamide
CID 62319444
(2R)-2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoic acid
CID 83194051
3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid
CID 43468748
N-cyclopentyl-2-(3-ethylpentan-2-ylamino)acetamide
CID 55260185
2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide
CID 63098151
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468322
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide
CID 103914129
2-cyclopropyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 55107911
2-(butan-2-ylamino)-N-(4-hydroxycyclohexyl)acetamide
CID 60852285
(2S)-2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83194919
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-diethylpropanamide
CID 43420346

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid?
The IUPAC name of 3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid (CID 79391522) is 3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid is CC(NCC(=O)NC1CC1)C(C)C(=O)O.
What is the InChIKey of 3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid?
The InChIKey is ZYHABRNMOOWNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6(10(14)15)7(2)11-5-9(13)12-8-3-4-8/h6-8,11H,3-5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid?
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid has a molecular weight of 214.26 g/mol, XLogP of -0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 79391522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).