2-hydroxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanedioic acid

C10H17NO7 — CID 119053739

IUPAC2-hydroxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanedioic acid
SMILESCC(C)(C)OC(=O)NCC(C(=O)O)C(O)C(=O)O
InChIInChI=1S/C10H17NO7/c1-10(2,3)18-9(17)11-4-5(7(13)14)6(12)8(15)16/h5-6,12H,4H2,1-3H3,(H,11,17)(H,13,14)(H,15,16)
InChIKeyCTQDGDKIFCGDIC-UHFFFAOYSA-N
MW263.25 g/mol
LogP-0.34
Rot. Bonds5

About 2-hydroxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanedioic acid

2-hydroxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanedioic acid (PubChem CID 119053739) has the molecular formula C10H17NO7 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-hydroxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanedioic acid.

Molecular Properties

Compound Name2-hydroxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanedioic acid
PubChem CID119053739
Molecular FormulaC10H17NO7
Molecular Weight263.25 g/mol
Exact Mass263.10
IUPAC Name2-hydroxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanedioic acid
SMILESCC(C)(C)OC(=O)NCC(C(=O)O)C(O)C(=O)O
InChIInChI=1S/C10H17NO7/c1-10(2,3)18-9(17)11-4-5(7(13)14)6(12)8(15)16/h5-6,12H,4H2,1-3H3,(H,11,17)(H,13,14)(H,15,16)
InChIKeyCTQDGDKIFCGDIC-UHFFFAOYSA-N
XLogP-0.34
TPSA133.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 10899749
(2S,3R)-3-benzyl-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 57312616
tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 158817898
ethane;(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 158437158
tert-butyl N-(2-hydroxy-2-sulfanylethyl)carbamate
CID 155160397
(2S,3R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 170324180
(2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 18631841
tert-butyl N-[(2R)-2-ethyl-3-hydroxypentyl]carbamate
CID 91490208
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 174463288
methyl (2S,3R)-2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 130935701

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanedioic acid?
The IUPAC name of 2-hydroxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanedioic acid (CID 119053739) is 2-hydroxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanedioic acid.
What is the SMILES notation for 2-hydroxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanedioic acid?
The canonical SMILES for 2-hydroxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanedioic acid is CC(C)(C)OC(=O)NCC(C(=O)O)C(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanedioic acid?
The InChIKey is CTQDGDKIFCGDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO7/c1-10(2,3)18-9(17)11-4-5(7(13)14)6(12)8(15)16/h5-6,12H,4H2,1-3H3,(H,11,17)(H,13,14)(H,15,16).
What are the key properties of 2-hydroxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanedioic acid?
2-hydroxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanedioic acid has a molecular weight of 263.25 g/mol, XLogP of -0.34, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanedioic acid is sourced from PubChem (CID 119053739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).