methyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate

C9H19NO2 — CID 59435909

IUPACmethyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate
SMILESCOC(=O)[C@H](NC(C)C)C(C)C
InChIInChI=1S/C9H19NO2/c1-6(2)8(9(11)12-5)10-7(3)4/h6-8,10H,1-5H3/t8-/m1/s1
InChIKeyUKCDSLLDLDNZNK-MRVPVSSYSA-N
MW173.26 g/mol
LogP1.18
Rot. Bonds4

About methyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate

methyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate (PubChem CID 59435909) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is methyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate
PubChem CID59435909
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namemethyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate
SMILESCOC(=O)[C@H](NC(C)C)C(C)C
InChIInChI=1S/C9H19NO2/c1-6(2)8(9(11)12-5)10-7(3)4/h6-8,10H,1-5H3/t8-/m1/s1
InChIKeyUKCDSLLDLDNZNK-MRVPVSSYSA-N
XLogP1.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[(1-hydroxy-2-methylpropyl)amino]-3-methylbutanoate
CID 165095500
methyl 2-hydrazinyl-3-methylbutanoate
CID 55279143
methyl 3-methyl-2-(propan-2-ylcarbamoylamino)butanoate
CID 4662809
methyl (2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutanoate
CID 113494507
2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]butanoic acid
CID 115352711
methyl (2S)-3-methyl-2-(propan-2-ylsulfonylamino)butanoate
CID 63821804
methyl 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-3-methylbutanoate
CID 43386372
methyl (2S)-3-methyl-2-(1-phenylethylamino)butanoate
CID 43386362
dipropan-2-yl 2,3-bis(propan-2-ylamino)butanedioate
CID 101067350
1-methoxy-3-methyl-1-oxo-2-(sulfinoamino)butane
CID 159607588
methyl (2S)-2-[[(2R,3R)-2,3-dihydroxy-4-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoyl]amino]-3-methylbutanoate
CID 102349924
methyl 2-[1-(4-hydroxyphenyl)ethylamino]-3-methylbutanoate
CID 43383228

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate?
The IUPAC name of methyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate (CID 59435909) is methyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for methyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate?
The canonical SMILES for methyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate is COC(=O)[C@H](NC(C)C)C(C)C.
What is the InChIKey of methyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate?
The InChIKey is UKCDSLLDLDNZNK-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6(2)8(9(11)12-5)10-7(3)4/h6-8,10H,1-5H3/t8-/m1/s1.
What are the key properties of methyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate?
methyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate has a molecular weight of 173.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 59435909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).