2-amino-N-(2-cyclopropyl-2-hydroxyethyl)butanediamide

C9H17N3O3 — CID 63296967

IUPAC2-amino-N-(2-cyclopropyl-2-hydroxyethyl)butanediamide
SMILESNC(=O)CC(N)C(=O)NCC(O)C1CC1
InChIInChI=1S/C9H17N3O3/c10-6(3-8(11)14)9(15)12-4-7(13)5-1-2-5/h5-7,13H,1-4,10H2,(H2,11,14)(H,12,15)
InChIKeyCXYBHSYSXKKKIY-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.92
Rot. Bonds6

About 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)butanediamide

2-amino-N-(2-cyclopropyl-2-hydroxyethyl)butanediamide (PubChem CID 63296967) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(2-cyclopropyl-2-hydroxyethyl)butanediamide
PubChem CID63296967
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-amino-N-(2-cyclopropyl-2-hydroxyethyl)butanediamide
SMILESNC(=O)CC(N)C(=O)NCC(O)C1CC1
InChIInChI=1S/C9H17N3O3/c10-6(3-8(11)14)9(15)12-4-7(13)5-1-2-5/h5-7,13H,1-4,10H2,(H2,11,14)(H,12,15)
InChIKeyCXYBHSYSXKKKIY-UHFFFAOYSA-N
XLogP-1.92
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2,2-dihydroxyethyl)butanediamide
CID 154111575
3-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxypropanoic acid
CID 66168013
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-phenylpropanamide
CID 63297211
2-amino-N-(2-cyclohexyl-2-hydroxyethyl)-3-methoxypropanamide
CID 120988887
N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylbutanamide
CID 63294520
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide
CID 113288241
3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide
CID 63296375
2-amino-N-(2-methylbutyl)butanediamide
CID 62692665
2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)butanamide
CID 65227956
2-amino-N-(3-hydroxybutyl)butanediamide
CID 64912890
2-amino-N-carbamoylbutanediamide
CID 79194218
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)propanamide
CID 63297161

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)butanediamide?
The IUPAC name of 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)butanediamide (CID 63296967) is 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)butanediamide.
What is the SMILES notation for 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)butanediamide?
The canonical SMILES for 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)butanediamide is NC(=O)CC(N)C(=O)NCC(O)C1CC1.
What is the InChIKey of 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)butanediamide?
The InChIKey is CXYBHSYSXKKKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c10-6(3-8(11)14)9(15)12-4-7(13)5-1-2-5/h5-7,13H,1-4,10H2,(H2,11,14)(H,12,15).
What are the key properties of 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)butanediamide?
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)butanediamide has a molecular weight of 215.25 g/mol, XLogP of -1.92, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)butanediamide is sourced from PubChem (CID 63296967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).