2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]acetic acid

C10H17NO6 — CID 14629047

IUPAC2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]acetic acid
SMILESCC(NC(=O)OC(C)(C)C)C(=O)OCC(=O)O
InChIInChI=1S/C10H17NO6/c1-6(8(14)16-5-7(12)13)11-9(15)17-10(2,3)4/h6H,5H2,1-4H3,(H,11,15)(H,12,13)
InChIKeyLJLDVIKTEVFCEM-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.53
Rot. Bonds4

About 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]acetic acid

2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]acetic acid (PubChem CID 14629047) has the molecular formula C10H17NO6 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]acetic acid
PubChem CID14629047
Molecular FormulaC10H17NO6
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]acetic acid
SMILESCC(NC(=O)OC(C)(C)C)C(=O)OCC(=O)O
InChIInChI=1S/C10H17NO6/c1-6(8(14)16-5-7(12)13)11-9(15)17-10(2,3)4/h6H,5H2,1-4H3,(H,11,15)(H,12,13)
InChIKeyLJLDVIKTEVFCEM-UHFFFAOYSA-N
XLogP0.53
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-aminoethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91323049
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopentanoic acid
CID 18631504
ethyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 10913206
4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]butanoic acid
CID 59775131
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
[(2S)-4,4-dimethylpentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 146590290
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 7015295
2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 174938444
(3,3,3-trifluoro-2,2-dimethylpropyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175315218
2-[4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl]phenyl]acetic acid
CID 14629036
2-sulfanylpropan-2-yl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 141480656
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 160991671

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]acetic acid?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]acetic acid (CID 14629047) is 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]acetic acid?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]acetic acid is CC(NC(=O)OC(C)(C)C)C(=O)OCC(=O)O.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]acetic acid?
The InChIKey is LJLDVIKTEVFCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO6/c1-6(8(14)16-5-7(12)13)11-9(15)17-10(2,3)4/h6H,5H2,1-4H3,(H,11,15)(H,12,13).
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]acetic acid?
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]acetic acid has a molecular weight of 247.25 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]acetic acid is sourced from PubChem (CID 14629047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).