4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoic acid

C9H17NO4 — CID 103251562

IUPAC4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)CNCC(O)C1CC1
InChIInChI=1S/C9H17NO4/c11-7(3-9(13)14)4-10-5-8(12)6-1-2-6/h6-8,10-12H,1-5H2,(H,13,14)
InChIKeyBLCKZVDTNOTRPL-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.82
Rot. Bonds7

About 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoic acid

4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoic acid (PubChem CID 103251562) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoic acid
PubChem CID103251562
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)CNCC(O)C1CC1
InChIInChI=1S/C9H17NO4/c11-7(3-9(13)14)4-10-5-8(12)6-1-2-6/h6-8,10-12H,1-5H2,(H,13,14)
InChIKeyBLCKZVDTNOTRPL-UHFFFAOYSA-N
XLogP-0.82
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-cyclopropyl-2-hydroxyethyl)amino]acetic acid
CID 63296306
ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate
CID 103251512
4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid
CID 103238569
4-(cyclohexylmethylamino)-3-hydroxybutanoic acid
CID 103237864
1-cyclopropyl-2-(2,2-difluoroethylamino)ethanol
CID 63298404
3-hydroxy-4-(prop-2-ynylamino)butanoic acid
CID 103230585
4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-hydroxybutanoic acid
CID 106178077
4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-3-hydroxybutanoic acid
CID 103256446
2-[4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]phenyl]acetic acid
CID 103251531
3-hydroxy-4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]butanoic acid
CID 103253725
3-hydroxy-4-[(2-hydroxy-2-phenylethyl)amino]butanoic acid
CID 103238121
1-cyclopropyl-2-(prop-2-ynylamino)ethanol
CID 63299078

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoic acid (CID 103251562) is 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoic acid is O=C(O)CC(O)CNCC(O)C1CC1.
What is the InChIKey of 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoic acid?
The InChIKey is BLCKZVDTNOTRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c11-7(3-9(13)14)4-10-5-8(12)6-1-2-6/h6-8,10-12H,1-5H2,(H,13,14).
What are the key properties of 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoic acid?
4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.82, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 103251562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).