N-cyclopropyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanamide

C11H17N3O2 — CID 79401221

IUPACN-cyclopropyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanamide
SMILESC#CCNCC(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C11H17N3O2/c1-2-6-12-8-11(16)13-7-5-10(15)14-9-3-4-9/h1,9,12H,3-8H2,(H,13,16)(H,14,15)
InChIKeyNWHQRZCJDIEYLH-UHFFFAOYSA-N
MW223.28 g/mol
LogP-1.01
Rot. Bonds7

About N-cyclopropyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanamide

N-cyclopropyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanamide (PubChem CID 79401221) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanamide
PubChem CID79401221
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-cyclopropyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanamide
SMILESC#CCNCC(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C11H17N3O2/c1-2-6-12-8-11(16)13-7-5-10(15)14-9-3-4-9/h1,9,12H,3-8H2,(H,13,16)(H,14,15)
InChIKeyNWHQRZCJDIEYLH-UHFFFAOYSA-N
XLogP-1.01
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[[2-(ethylamino)acetyl]amino]propanamide
CID 79400683
N-(4-hydroxycyclohexyl)-2-(prop-2-ynylamino)acetamide
CID 79286896
N-cyclopropyl-3-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 62626302
3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylpropanamide
CID 79400913
N-cyclopropyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide
CID 79394037
N-cyclopropyl-3-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
CID 79394275
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
N-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide
CID 112722327
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 78911139
tert-butyl 4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 106707567
N-(1-ethylsulfonylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide
CID 79287512
N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide
CID 79400929

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanamide (CID 79401221) is N-cyclopropyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanamide is C#CCNCC(=O)NCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanamide?
The InChIKey is NWHQRZCJDIEYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-6-12-8-11(16)13-7-5-10(15)14-9-3-4-9/h1,9,12H,3-8H2,(H,13,16)(H,14,15).
What are the key properties of N-cyclopropyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanamide?
N-cyclopropyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanamide has a molecular weight of 223.28 g/mol, XLogP of -1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanamide is sourced from PubChem (CID 79401221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).