propan-2-yl (3R)-3-hydroxy-2-(propan-2-ylamino)butanoate

C10H21NO3 — CID 140961196

IUPACpropan-2-yl (3R)-3-hydroxy-2-(propan-2-ylamino)butanoate
SMILESCC(C)NC(C(=O)OC(C)C)[C@@H](C)O
InChIInChI=1S/C10H21NO3/c1-6(2)11-9(8(5)12)10(13)14-7(3)4/h6-9,11-12H,1-5H3/t8-,9?/m1/s1
InChIKeyPCMHRNVCIKJQNH-VEDVMXKPSA-N
MW203.28 g/mol
LogP0.69
Rot. Bonds5

About propan-2-yl (3R)-3-hydroxy-2-(propan-2-ylamino)butanoate

propan-2-yl (3R)-3-hydroxy-2-(propan-2-ylamino)butanoate (PubChem CID 140961196) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is propan-2-yl (3R)-3-hydroxy-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Namepropan-2-yl (3R)-3-hydroxy-2-(propan-2-ylamino)butanoate
PubChem CID140961196
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Namepropan-2-yl (3R)-3-hydroxy-2-(propan-2-ylamino)butanoate
SMILESCC(C)NC(C(=O)OC(C)C)[C@@H](C)O
InChIInChI=1S/C10H21NO3/c1-6(2)11-9(8(5)12)10(13)14-7(3)4/h6-9,11-12H,1-5H3/t8-,9?/m1/s1
InChIKeyPCMHRNVCIKJQNH-VEDVMXKPSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

dipropan-2-yl 2,3-bis(propan-2-ylamino)butanedioate
CID 101067350
tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate
CID 134164851
(3R,4R)-4-hydroxy-3-(propan-2-ylamino)pentan-2-one
CID 157133693
propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate
CID 93251792
propan-2-yl (3S)-2-(butoxycarbonylamino)-3-hydroxybutanoate
CID 87984973
propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride
CID 122539225
ethane;propan-2-yl (2S)-3-methyl-2-(methylamino)butanoate
CID 142287179
(4R,5S)-5-hydroxy-4-(propan-2-ylamino)hexan-3-one
CID 157133698
(5R)-5-hydroxy-4-(propan-2-ylamino)hexan-3-one
CID 157133697
(4S,5R)-5-hydroxy-2,2-dimethyl-4-(propan-2-ylamino)hexan-3-one
CID 177276699
bis(tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate);ethyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;ethyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;methane;methyl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate;(2R,3R)-3-(propan-2-ylamino)butan-2-ol;propan-2-yl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate;propan-2-yl (2S)-3-hydroxy-2-(propan-2-ylamino)propanoate
CID 158674360
methyl (2R,3R)-2-[[(1R)-1-cyclobutylethyl]amino]-3-hydroxybutanoate
CID 99837528

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (3R)-3-hydroxy-2-(propan-2-ylamino)butanoate?
The IUPAC name of propan-2-yl (3R)-3-hydroxy-2-(propan-2-ylamino)butanoate (CID 140961196) is propan-2-yl (3R)-3-hydroxy-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for propan-2-yl (3R)-3-hydroxy-2-(propan-2-ylamino)butanoate?
The canonical SMILES for propan-2-yl (3R)-3-hydroxy-2-(propan-2-ylamino)butanoate is CC(C)NC(C(=O)OC(C)C)[C@@H](C)O.
What is the InChIKey of propan-2-yl (3R)-3-hydroxy-2-(propan-2-ylamino)butanoate?
The InChIKey is PCMHRNVCIKJQNH-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H21NO3/c1-6(2)11-9(8(5)12)10(13)14-7(3)4/h6-9,11-12H,1-5H3/t8-,9?/m1/s1.
What are the key properties of propan-2-yl (3R)-3-hydroxy-2-(propan-2-ylamino)butanoate?
propan-2-yl (3R)-3-hydroxy-2-(propan-2-ylamino)butanoate has a molecular weight of 203.28 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3R)-3-hydroxy-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 140961196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).