2-methylpropyl (2R)-2-amino-4-hydroxybutanoate

C8H17NO3 — CID 107825334

IUPAC2-methylpropyl (2R)-2-amino-4-hydroxybutanoate
SMILESCC(C)COC(=O)[C@H](N)CCO
InChIInChI=1S/C8H17NO3/c1-6(2)5-12-8(11)7(9)3-4-10/h6-7,10H,3-5,9H2,1-2H3/t7-/m1/s1
InChIKeyPMOGVWFZLQBGGY-SSDOTTSWSA-N
MW175.23 g/mol
LogP-0.10
Rot. Bonds5

About 2-methylpropyl (2R)-2-amino-4-hydroxybutanoate

2-methylpropyl (2R)-2-amino-4-hydroxybutanoate (PubChem CID 107825334) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-methylpropyl (2R)-2-amino-4-hydroxybutanoate.

Molecular Properties

Compound Name2-methylpropyl (2R)-2-amino-4-hydroxybutanoate
PubChem CID107825334
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-methylpropyl (2R)-2-amino-4-hydroxybutanoate
SMILESCC(C)COC(=O)[C@H](N)CCO
InChIInChI=1S/C8H17NO3/c1-6(2)5-12-8(11)7(9)3-4-10/h6-7,10H,3-5,9H2,1-2H3/t7-/m1/s1
InChIKeyPMOGVWFZLQBGGY-SSDOTTSWSA-N
XLogP-0.10
TPSA72.55 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 ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-methylpropyl) (2S)-2-aminobutanedioate
CID 15607405
1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate
CID 107825394
4-amino-6-hydroxy-2-methylhexan-3-one
CID 88980975
butan-2-yl (2R)-2-amino-4-hydroxybutanoate
CID 107825312
2-methylpropyl 3-hydroxy-2-methylpropanoate
CID 14114444
2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate
CID 114005284
2-(2-methoxyethoxy)ethyl (2R)-2-amino-4-hydroxybutanoate
CID 107825427
2-methylpropyl 2,3-dihydroxypropanoate
CID 87068517
cyclopropylmethyl 2-amino-4-hydroxybutanoate
CID 61243530
bis[(2S)-2-amino-4-hydroxybutanoyl] butanedioate
CID 91277760
2-[2-(2-butoxyethoxy)ethoxy]ethyl 2-amino-4-hydroxybutanoate
CID 104563663
3-(2-methoxyethoxy)propyl (2R)-2-amino-4-hydroxybutanoate
CID 107825441

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (2R)-2-amino-4-hydroxybutanoate?
The IUPAC name of 2-methylpropyl (2R)-2-amino-4-hydroxybutanoate (CID 107825334) is 2-methylpropyl (2R)-2-amino-4-hydroxybutanoate.
What is the SMILES notation for 2-methylpropyl (2R)-2-amino-4-hydroxybutanoate?
The canonical SMILES for 2-methylpropyl (2R)-2-amino-4-hydroxybutanoate is CC(C)COC(=O)[C@H](N)CCO.
What is the InChIKey of 2-methylpropyl (2R)-2-amino-4-hydroxybutanoate?
The InChIKey is PMOGVWFZLQBGGY-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(2)5-12-8(11)7(9)3-4-10/h6-7,10H,3-5,9H2,1-2H3/t7-/m1/s1.
What are the key properties of 2-methylpropyl (2R)-2-amino-4-hydroxybutanoate?
2-methylpropyl (2R)-2-amino-4-hydroxybutanoate has a molecular weight of 175.23 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (2R)-2-amino-4-hydroxybutanoate is sourced from PubChem (CID 107825334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).