tert-butyl (2R)-2-hydroxy-2-methyl-3-[[(2R)-4-methylpentan-2-yl]amino]propanoate

C14H29NO3 — CID 97308748

IUPACtert-butyl (2R)-2-hydroxy-2-methyl-3-[[(2R)-4-methylpentan-2-yl]amino]propanoate
SMILESCC(C)C[C@@H](C)NC[C@@](C)(O)C(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO3/c1-10(2)8-11(3)15-9-14(7,17)12(16)18-13(4,5)6/h10-11,15,17H,8-9H2,1-7H3/t11-,14-/m1/s1
InChIKeyJEZLOTXWRZILLO-BXUZGUMPSA-N
MW259.39 g/mol
LogP2.10
Rot. Bonds6

About tert-butyl (2R)-2-hydroxy-2-methyl-3-[[(2R)-4-methylpentan-2-yl]amino]propanoate

tert-butyl (2R)-2-hydroxy-2-methyl-3-[[(2R)-4-methylpentan-2-yl]amino]propanoate (PubChem CID 97308748) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is tert-butyl (2R)-2-hydroxy-2-methyl-3-[[(2R)-4-methylpentan-2-yl]amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-hydroxy-2-methyl-3-[[(2R)-4-methylpentan-2-yl]amino]propanoate
PubChem CID97308748
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Nametert-butyl (2R)-2-hydroxy-2-methyl-3-[[(2R)-4-methylpentan-2-yl]amino]propanoate
SMILESCC(C)C[C@@H](C)NC[C@@](C)(O)C(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO3/c1-10(2)8-11(3)15-9-14(7,17)12(16)18-13(4,5)6/h10-11,15,17H,8-9H2,1-7H3/t11-,14-/m1/s1
InChIKeyJEZLOTXWRZILLO-BXUZGUMPSA-N
XLogP2.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R)-2-hydroxy-2-methyl-3-[[(2R)-4-methylpentan-2-yl]amino]propanoate with MolForge

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Related Compounds

methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate
CID 104643639
tert-butyl N-[4-(4-methylpentan-2-ylamino)butan-2-yl]carbamate
CID 103901742
methyl 2-[(2-hydroxy-3-methoxy-2-methyl-3-oxopropyl)amino]-4-methylpentanoate
CID 104644259
tert-butyl 4-[2-(4-methylpentan-2-ylamino)acetyl]piperazine-1-carboxylate
CID 103778322
methyl 2-hydroxy-2-methyl-3-(pentan-2-ylamino)propanoate
CID 104643624
methyl 2-hydroxy-3-(4-hydroxybutan-2-ylamino)-2-methylpropanoate
CID 104644967
3-[(4-methylpentan-2-ylamino)methyl]pentan-3-ol
CID 65107716
methyl 2-hydroxy-3-(5-hydroxypentan-2-ylamino)-2-methylpropanoate
CID 104644757
tert-butyl (2S)-2-(2,2-dimethylpropylamino)-4-methylpentanoate
CID 86641982
2-hydroxy-2-methyl-3-(4-methylhexan-2-ylamino)propanoic acid
CID 104644649
tert-butyl N-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]carbamate
CID 115614536
tert-butyl 2,2,4-trimethylpentanoate
CID 91303202

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-hydroxy-2-methyl-3-[[(2R)-4-methylpentan-2-yl]amino]propanoate?
The IUPAC name of tert-butyl (2R)-2-hydroxy-2-methyl-3-[[(2R)-4-methylpentan-2-yl]amino]propanoate (CID 97308748) is tert-butyl (2R)-2-hydroxy-2-methyl-3-[[(2R)-4-methylpentan-2-yl]amino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-hydroxy-2-methyl-3-[[(2R)-4-methylpentan-2-yl]amino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-hydroxy-2-methyl-3-[[(2R)-4-methylpentan-2-yl]amino]propanoate is CC(C)C[C@@H](C)NC[C@@](C)(O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-hydroxy-2-methyl-3-[[(2R)-4-methylpentan-2-yl]amino]propanoate?
The InChIKey is JEZLOTXWRZILLO-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H29NO3/c1-10(2)8-11(3)15-9-14(7,17)12(16)18-13(4,5)6/h10-11,15,17H,8-9H2,1-7H3/t11-,14-/m1/s1.
What are the key properties of tert-butyl (2R)-2-hydroxy-2-methyl-3-[[(2R)-4-methylpentan-2-yl]amino]propanoate?
tert-butyl (2R)-2-hydroxy-2-methyl-3-[[(2R)-4-methylpentan-2-yl]amino]propanoate has a molecular weight of 259.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-hydroxy-2-methyl-3-[[(2R)-4-methylpentan-2-yl]amino]propanoate is sourced from PubChem (CID 97308748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).