methyl 4-hydroxy-2-(propan-2-ylamino)butanoate

C8H17NO3 — CID 105436141

IUPACmethyl 4-hydroxy-2-(propan-2-ylamino)butanoate
SMILESCOC(=O)C(CCO)NC(C)C
InChIInChI=1S/C8H17NO3/c1-6(2)9-7(4-5-10)8(11)12-3/h6-7,9-10H,4-5H2,1-3H3
InChIKeyITUCAHBACSKXGM-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.09
Rot. Bonds5

About methyl 4-hydroxy-2-(propan-2-ylamino)butanoate

methyl 4-hydroxy-2-(propan-2-ylamino)butanoate (PubChem CID 105436141) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is methyl 4-hydroxy-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-2-(propan-2-ylamino)butanoate
PubChem CID105436141
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namemethyl 4-hydroxy-2-(propan-2-ylamino)butanoate
SMILESCOC(=O)C(CCO)NC(C)C
InChIInChI=1S/C8H17NO3/c1-6(2)9-7(4-5-10)8(11)12-3/h6-7,9-10H,4-5H2,1-3H3
InChIKeyITUCAHBACSKXGM-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-2-(propan-2-ylamino)butanoate
CID 105435859
methyl 4-methoxy-2-(propan-2-ylamino)butanoate
CID 63038753
methyl 4-methyl-2-(propan-2-ylamino)pentanoate
CID 43230583
4-hydroxy-N-propan-2-yl-2-(propan-2-ylamino)butanamide
CID 15486717
methyl 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(propan-2-ylamino)butanoate
CID 115561460
methyl 4-(azocan-1-yl)-2-(propan-2-ylamino)butanoate
CID 63027769
methyl 4-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butanoate
CID 55144289
methyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate
CID 63028441
methyl 4-cycloheptyloxy-2-(propan-2-ylamino)butanoate
CID 55143758
methyl 4-hexoxy-2-(propan-2-ylamino)butanoate
CID 55145691
methyl 4-(N-methylanilino)-2-(propan-2-ylamino)butanoate
CID 63029737
methyl 4-(4-methylphenoxy)-2-(propan-2-ylamino)butanoate
CID 55142996

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-2-(propan-2-ylamino)butanoate?
The IUPAC name of methyl 4-hydroxy-2-(propan-2-ylamino)butanoate (CID 105436141) is methyl 4-hydroxy-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for methyl 4-hydroxy-2-(propan-2-ylamino)butanoate?
The canonical SMILES for methyl 4-hydroxy-2-(propan-2-ylamino)butanoate is COC(=O)C(CCO)NC(C)C.
What is the InChIKey of methyl 4-hydroxy-2-(propan-2-ylamino)butanoate?
The InChIKey is ITUCAHBACSKXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(2)9-7(4-5-10)8(11)12-3/h6-7,9-10H,4-5H2,1-3H3.
What are the key properties of methyl 4-hydroxy-2-(propan-2-ylamino)butanoate?
methyl 4-hydroxy-2-(propan-2-ylamino)butanoate has a molecular weight of 175.23 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 105436141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).