2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide

C10H19N3O2 — CID 103914129

IUPAC2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide
SMILESCC(C)C(NCC(=O)NC1CC1)C(N)=O
InChIInChI=1S/C10H19N3O2/c1-6(2)9(10(11)15)12-5-8(14)13-7-3-4-7/h6-7,9,12H,3-5H2,1-2H3,(H2,11,15)(H,13,14)
InChIKeyUMSCZGCQVRMCTB-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.64
Rot. Bonds6

About 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide

2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide (PubChem CID 103914129) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide
PubChem CID103914129
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide
SMILESCC(C)C(NCC(=O)NC1CC1)C(N)=O
InChIInChI=1S/C10H19N3O2/c1-6(2)9(10(11)15)12-5-8(14)13-7-3-4-7/h6-7,9,12H,3-5H2,1-2H3,(H2,11,15)(H,13,14)
InChIKeyUMSCZGCQVRMCTB-UHFFFAOYSA-N
XLogP-0.64
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoic acid
CID 43468748
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-cyclopropylacetamide
CID 77029214
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468322
N-(4-aminocyclohexyl)-2-(propan-2-ylamino)acetamide
CID 62319444
2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide
CID 103914024
2-(butan-2-ylamino)-N-(4-hydroxycyclohexyl)acetamide
CID 60852285
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79391522
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238
methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoate
CID 60691118
4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide
CID 43698392
N-cyclopropyl-2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetamide
CID 43568260
2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468758

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide?
The IUPAC name of 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide (CID 103914129) is 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide.
What is the SMILES notation for 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide?
The canonical SMILES for 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide is CC(C)C(NCC(=O)NC1CC1)C(N)=O.
What is the InChIKey of 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide?
The InChIKey is UMSCZGCQVRMCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-6(2)9(10(11)15)12-5-8(14)13-7-3-4-7/h6-7,9,12H,3-5H2,1-2H3,(H2,11,15)(H,13,14).
What are the key properties of 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide?
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide has a molecular weight of 213.28 g/mol, XLogP of -0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbutanamide is sourced from PubChem (CID 103914129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).