2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C9H16NO4- — CID 22996657

IUPAC2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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)/p-1
InChIKeyGDQRNRYMFXDGMS-UHFFFAOYSA-M
MW202.23 g/mol
LogP-0.10
Rot. Bonds3

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

2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 22996657) has the molecular formula C9H16NO4- and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Name2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID22996657
Molecular FormulaC9H16NO4-
Molecular Weight202.23 g/mol
Exact Mass202.11
IUPAC Name2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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)/p-1
InChIKeyGDQRNRYMFXDGMS-UHFFFAOYSA-M
XLogP-0.10
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7015749
(2R)-3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoate
CID 51777226
lithium 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanoate
CID 156723013
ethane;(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 158437158
tert-butyl N-(2-hydroxy-2-sulfanylethyl)carbamate
CID 155160397
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
(2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 18631841
tert-butyl N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]carbamate
CID 62667302
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate
CID 87400882
tert-butyl N-[3-amino-2-(2-methylpropylamino)-3-oxopropyl]carbamate
CID 102730720
(2R,5S)-2-azaniumyl-5-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 7408421

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 22996657) is 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CC(CNC(=O)OC(C)(C)C)C(=O)[O-].
What is the InChIKey of 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is GDQRNRYMFXDGMS-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 202.23 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 22996657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).