2-amino-2-cyclopropyl-N-pent-4-yn-2-ylpropanamide

C11H18N2O — CID 115976498

IUPAC2-amino-2-cyclopropyl-N-pent-4-yn-2-ylpropanamide
SMILESC#CCC(C)NC(=O)C(C)(N)C1CC1
InChIInChI=1S/C11H18N2O/c1-4-5-8(2)13-10(14)11(3,12)9-6-7-9/h1,8-9H,5-7,12H2,2-3H3,(H,13,14)
InChIKeyCRCGGHXMFCZNCT-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.64
Rot. Bonds4

About 2-amino-2-cyclopropyl-N-pent-4-yn-2-ylpropanamide

2-amino-2-cyclopropyl-N-pent-4-yn-2-ylpropanamide (PubChem CID 115976498) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-N-pent-4-yn-2-ylpropanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-N-pent-4-yn-2-ylpropanamide
PubChem CID115976498
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-amino-2-cyclopropyl-N-pent-4-yn-2-ylpropanamide
SMILESC#CCC(C)NC(=O)C(C)(N)C1CC1
InChIInChI=1S/C11H18N2O/c1-4-5-8(2)13-10(14)11(3,12)9-6-7-9/h1,8-9H,5-7,12H2,2-3H3,(H,13,14)
InChIKeyCRCGGHXMFCZNCT-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-cyclopropyl-N-hexan-2-ylpropanamide
CID 62198947
3-[(2-amino-2-cyclopropylpropanoyl)amino]butanamide
CID 115746838
2-amino-2-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 64643013
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-N-(1-cyanobutan-2-yl)-2-cyclopropylpropanamide
CID 62646915
3-cyclopentyl-N-pent-4-yn-2-ylpropanamide
CID 115662074
2-amino-2-cyclopropyl-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide
CID 60867535
(2S)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-4-hydroxybutanoic acid
CID 107824979
2-amino-2-cyclopropylhex-5-yn-3-one
CID 116558356
N-pent-4-yn-2-ylcyclopentanecarboxamide
CID 115661776
2-amino-2-cyclopropyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 60866290

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-N-pent-4-yn-2-ylpropanamide?
The IUPAC name of 2-amino-2-cyclopropyl-N-pent-4-yn-2-ylpropanamide (CID 115976498) is 2-amino-2-cyclopropyl-N-pent-4-yn-2-ylpropanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-N-pent-4-yn-2-ylpropanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-N-pent-4-yn-2-ylpropanamide is C#CCC(C)NC(=O)C(C)(N)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-N-pent-4-yn-2-ylpropanamide?
The InChIKey is CRCGGHXMFCZNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-5-8(2)13-10(14)11(3,12)9-6-7-9/h1,8-9H,5-7,12H2,2-3H3,(H,13,14).
What are the key properties of 2-amino-2-cyclopropyl-N-pent-4-yn-2-ylpropanamide?
2-amino-2-cyclopropyl-N-pent-4-yn-2-ylpropanamide has a molecular weight of 194.28 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-N-pent-4-yn-2-ylpropanamide is sourced from PubChem (CID 115976498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).