butan-2-yl 2-(2-hydroxyethylamino)propanoate

C9H19NO3 — CID 82358544

IUPACbutan-2-yl 2-(2-hydroxyethylamino)propanoate
SMILESCCC(C)OC(=O)C(C)NCCO
InChIInChI=1S/C9H19NO3/c1-4-7(2)13-9(12)8(3)10-5-6-11/h7-8,10-11H,4-6H2,1-3H3
InChIKeyJCBJAOOGPZZYBM-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.30
Rot. Bonds6

About butan-2-yl 2-(2-hydroxyethylamino)propanoate

butan-2-yl 2-(2-hydroxyethylamino)propanoate (PubChem CID 82358544) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is butan-2-yl 2-(2-hydroxyethylamino)propanoate.

Molecular Properties

Compound Namebutan-2-yl 2-(2-hydroxyethylamino)propanoate
PubChem CID82358544
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Namebutan-2-yl 2-(2-hydroxyethylamino)propanoate
SMILESCCC(C)OC(=O)C(C)NCCO
InChIInChI=1S/C9H19NO3/c1-4-7(2)13-9(12)8(3)10-5-6-11/h7-8,10-11H,4-6H2,1-3H3
InChIKeyJCBJAOOGPZZYBM-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 172703702
CID 172703702
(2S)-2-(2-hydroxyethylamino)propanamide
CID 93033472
dibutan-2-yl 2,3-dimethylbutanedioate
CID 582100
butan-2-yl (2R)-2-amino-4-hydroxybutanoate
CID 107825312
butan-2-yl (2R,3R)-3-hydroxy-2-methylbutanoate
CID 57119421
butan-2-yl (2R)-2-aminopropanoate
CID 45086644
dibutan-2-yl 2,4-dimethylpentanedioate
CID 588548
butan-2-yl 2-chloropropanoate
CID 519977
1-O-butan-2-yl 3-O-methyl 2-aminopropanedioate
CID 54092153
butan-2-yl 2-amino-3-methylpentanoate
CID 60903336
propan-2-yl (2S)-2-(ethylamino)propanoate
CID 134571850
2-methylpropyl 2-(2-hydroxyethylamino)butanoate
CID 82358549

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-(2-hydroxyethylamino)propanoate?
The IUPAC name of butan-2-yl 2-(2-hydroxyethylamino)propanoate (CID 82358544) is butan-2-yl 2-(2-hydroxyethylamino)propanoate.
What is the SMILES notation for butan-2-yl 2-(2-hydroxyethylamino)propanoate?
The canonical SMILES for butan-2-yl 2-(2-hydroxyethylamino)propanoate is CCC(C)OC(=O)C(C)NCCO.
What is the InChIKey of butan-2-yl 2-(2-hydroxyethylamino)propanoate?
The InChIKey is JCBJAOOGPZZYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-7(2)13-9(12)8(3)10-5-6-11/h7-8,10-11H,4-6H2,1-3H3.
What are the key properties of butan-2-yl 2-(2-hydroxyethylamino)propanoate?
butan-2-yl 2-(2-hydroxyethylamino)propanoate has a molecular weight of 189.25 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-(2-hydroxyethylamino)propanoate is sourced from PubChem (CID 82358544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).