N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide

C10H19N3O2 — CID 79400929

IUPACN-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide
SMILESCNCC(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C10H19N3O2/c1-11-7-10(15)12-6-2-3-9(14)13-8-4-5-8/h8,11H,2-7H2,1H3,(H,12,15)(H,13,14)
InChIKeyAPVRXBOCBFHEOK-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.62
Rot. Bonds7

About N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide

N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide (PubChem CID 79400929) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide
PubChem CID79400929
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide
SMILESCNCC(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C10H19N3O2/c1-11-7-10(15)12-6-2-3-9(14)13-8-4-5-8/h8,11H,2-7H2,1H3,(H,12,15)(H,13,14)
InChIKeyAPVRXBOCBFHEOK-UHFFFAOYSA-N
XLogP-0.62
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-(methylcarbamoylamino)butanamide
CID 115582642
4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide
CID 79401001
N-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide
CID 79400697
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide
CID 79401446
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide
CID 107032147
2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide
CID 177413313
4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide
CID 79401456
4-[(2-anilinoacetyl)amino]-N-cyclopropylbutanamide
CID 79401604
N-cyclopropyl-4-(ethylcarbamothioylamino)butanamide
CID 115583406
N-(3-cyclopropylpropyl)-2-(methylamino)acetamide
CID 115740545

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide (CID 79400929) is N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide is CNCC(=O)NCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide?
The InChIKey is APVRXBOCBFHEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-11-7-10(15)12-6-2-3-9(14)13-8-4-5-8/h8,11H,2-7H2,1H3,(H,12,15)(H,13,14).
What are the key properties of N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide?
N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide has a molecular weight of 213.28 g/mol, XLogP of -0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide is sourced from PubChem (CID 79400929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).