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

C9H17NO4 — CID 4192640

IUPAC2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(CNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C9H17NO4/c1-6(7(11)12)5-10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)
InChIKeyGDQRNRYMFXDGMS-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.23
Rot. Bonds3

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

2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 4192640) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID4192640
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(CNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C9H17NO4/c1-6(7(11)12)5-10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)
InChIKeyGDQRNRYMFXDGMS-UHFFFAOYSA-N
XLogP1.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-((1,1-dimethylethoxy)carbonyl)-beta-alanine
CID 76809
4-(((Tert-butoxy)carbonyl)amino)butanoic acid
CID 294894
(3S)-3-(((tert-butoxy)carbonyl)amino)butanoic acid
CID 5706671
3-(((Tert-butoxy)carbonyl)amino)butanoic acid
CID 3666467
3-{[(Tert-butoxy)carbonyl]amino}-2,2-dimethylpropanoic acid
CID 11790631
(2S)-3-(((tert-butoxy)carbonyl)amino)-2-methylpropanoic acid
CID 12042484
Methyl 3-(((tert-butoxy)carbonyl)amino)propanoate
CID 11687095
Butanoicacid, 2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, (2R)-
CID 12155293
Ethyl 3-{[(tert-butoxy)carbonyl]amino}propanoate
CID 15933116
(S)-2-[(Boc-amino)methyl]-3-methylbutyric acid
CID 45933879
(2S)-2-((((tert-butoxy)carbonyl)amino)methyl)butanoic acid
CID 51340352
(3S)-3-{[(tert-butoxy)carbonyl]amino}pentanoic acid
CID 12070949

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 4192640) is 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is CC(CNC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is GDQRNRYMFXDGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-6(7(11)12)5-10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12).
What are the key properties of 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 203.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 4192640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).