3-[(2-amino-2-cyclopropylpropanoyl)amino]butanamide

C10H19N3O2 — CID 115746838

IUPAC3-[(2-amino-2-cyclopropylpropanoyl)amino]butanamide
SMILESCC(CC(N)=O)NC(=O)C(C)(N)C1CC1
InChIInChI=1S/C10H19N3O2/c1-6(5-8(11)14)13-9(15)10(2,12)7-3-4-7/h6-7H,3-5,12H2,1-2H3,(H2,11,14)(H,13,15)
InChIKeyPTERXXRMQYCBML-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.51
Rot. Bonds5

About 3-[(2-amino-2-cyclopropylpropanoyl)amino]butanamide

3-[(2-amino-2-cyclopropylpropanoyl)amino]butanamide (PubChem CID 115746838) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[(2-amino-2-cyclopropylpropanoyl)amino]butanamide.

Molecular Properties

Compound Name3-[(2-amino-2-cyclopropylpropanoyl)amino]butanamide
PubChem CID115746838
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name3-[(2-amino-2-cyclopropylpropanoyl)amino]butanamide
SMILESCC(CC(N)=O)NC(=O)C(C)(N)C1CC1
InChIInChI=1S/C10H19N3O2/c1-6(5-8(11)14)13-9(15)10(2,12)7-3-4-7/h6-7H,3-5,12H2,1-2H3,(H2,11,14)(H,13,15)
InChIKeyPTERXXRMQYCBML-UHFFFAOYSA-N
XLogP-0.51
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-N-hexan-2-ylpropanamide
CID 62198947
2-amino-2-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 64643013
2-amino-2-cyclopropyl-N-pent-4-yn-2-ylpropanamide
CID 115976498
2-amino-2-cyclopropyl-N-(3-methylpentan-2-yl)propanamide
CID 61463878
2-amino-2-cyclopropyl-N-(3-ethylpentan-2-yl)propanamide
CID 63843687
2-amino-2-cyclopropyl-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide
CID 60867535
2-amino-2-cyclopropyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 60866290
3-[(2-cyclopropyl-1-hydroxypropan-2-yl)amino]butanamide
CID 115927783
2-amino-2-cyclopropyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]propanamide
CID 103109023
2-amino-2-cyclopropyl-N-(2-methylbutan-2-yl)propanamide
CID 60866770
4-[(2-amino-2-cyclopropylpropanoyl)amino]butanamide
CID 60865576
3-(2-cyclobutylethylamino)butanamide
CID 115893474

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-cyclopropylpropanoyl)amino]butanamide?
The IUPAC name of 3-[(2-amino-2-cyclopropylpropanoyl)amino]butanamide (CID 115746838) is 3-[(2-amino-2-cyclopropylpropanoyl)amino]butanamide.
What is the SMILES notation for 3-[(2-amino-2-cyclopropylpropanoyl)amino]butanamide?
The canonical SMILES for 3-[(2-amino-2-cyclopropylpropanoyl)amino]butanamide is CC(CC(N)=O)NC(=O)C(C)(N)C1CC1.
What is the InChIKey of 3-[(2-amino-2-cyclopropylpropanoyl)amino]butanamide?
The InChIKey is PTERXXRMQYCBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-6(5-8(11)14)13-9(15)10(2,12)7-3-4-7/h6-7H,3-5,12H2,1-2H3,(H2,11,14)(H,13,15).
What are the key properties of 3-[(2-amino-2-cyclopropylpropanoyl)amino]butanamide?
3-[(2-amino-2-cyclopropylpropanoyl)amino]butanamide has a molecular weight of 213.28 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-cyclopropylpropanoyl)amino]butanamide is sourced from PubChem (CID 115746838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).