2-amino-N-[2-(cyclopropylmethoxy)ethyl]butanediamide

C10H19N3O3 — CID 103827564

IUPAC2-amino-N-[2-(cyclopropylmethoxy)ethyl]butanediamide
SMILESNC(=O)CC(N)C(=O)NCCOCC1CC1
InChIInChI=1S/C10H19N3O3/c11-8(5-9(12)14)10(15)13-3-4-16-6-7-1-2-7/h7-8H,1-6,11H2,(H2,12,14)(H,13,15)
InChIKeyZYTIGQIRHDQJQD-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.27
Rot. Bonds8

About 2-amino-N-[2-(cyclopropylmethoxy)ethyl]butanediamide

2-amino-N-[2-(cyclopropylmethoxy)ethyl]butanediamide (PubChem CID 103827564) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-amino-N-[2-(cyclopropylmethoxy)ethyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[2-(cyclopropylmethoxy)ethyl]butanediamide
PubChem CID103827564
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-amino-N-[2-(cyclopropylmethoxy)ethyl]butanediamide
SMILESNC(=O)CC(N)C(=O)NCCOCC1CC1
InChIInChI=1S/C10H19N3O3/c11-8(5-9(12)14)10(15)13-3-4-16-6-7-1-2-7/h7-8H,1-6,11H2,(H2,12,14)(H,13,15)
InChIKeyZYTIGQIRHDQJQD-UHFFFAOYSA-N
XLogP-1.27
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide
CID 61155391
(2S,3S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide
CID 103833000
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide
CID 113288241
2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide
CID 43515321
(2R)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-(4-hydroxyphenyl)propanamide
CID 104904734
3-[[4-(2-formamidoethoxymethyl)cyclohexyl]methoxy]propanamide
CID 177358218
3-amino-N-[2-(cyclopropylmethoxy)ethyl]-2,2-dimethylpropanamide
CID 103809924
(2R)-2-(azepan-1-yl)-N-[2-(cyclopropylmethoxy)ethyl]propanamide
CID 97318732
4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
CID 103795970
N-[3-(cyclopropylmethoxy)propyl]-2-methoxypropanamide
CID 115588529
2-carbamothioyl-N-[2-(cyclopropylmethoxy)ethyl]-2-ethylbutanamide
CID 114098052
2-amino-N-(3-hydroxybutyl)butanediamide
CID 64912890

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(cyclopropylmethoxy)ethyl]butanediamide?
The IUPAC name of 2-amino-N-[2-(cyclopropylmethoxy)ethyl]butanediamide (CID 103827564) is 2-amino-N-[2-(cyclopropylmethoxy)ethyl]butanediamide.
What is the SMILES notation for 2-amino-N-[2-(cyclopropylmethoxy)ethyl]butanediamide?
The canonical SMILES for 2-amino-N-[2-(cyclopropylmethoxy)ethyl]butanediamide is NC(=O)CC(N)C(=O)NCCOCC1CC1.
What is the InChIKey of 2-amino-N-[2-(cyclopropylmethoxy)ethyl]butanediamide?
The InChIKey is ZYTIGQIRHDQJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c11-8(5-9(12)14)10(15)13-3-4-16-6-7-1-2-7/h7-8H,1-6,11H2,(H2,12,14)(H,13,15).
What are the key properties of 2-amino-N-[2-(cyclopropylmethoxy)ethyl]butanediamide?
2-amino-N-[2-(cyclopropylmethoxy)ethyl]butanediamide has a molecular weight of 229.28 g/mol, XLogP of -1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(cyclopropylmethoxy)ethyl]butanediamide is sourced from PubChem (CID 103827564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).