2-aminoethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C10H20N2O4 — CID 91323049

IUPAC2-aminoethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCCN
InChIInChI=1S/C10H20N2O4/c1-7(8(13)15-6-5-11)12-9(14)16-10(2,3)4/h7H,5-6,11H2,1-4H3,(H,12,14)/t7-/m1/s1
InChIKeyMACWEAKMNPYVMD-SSDOTTSWSA-N
MW232.28 g/mol
LogP0.40
Rot. Bonds4

About 2-aminoethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

2-aminoethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 91323049) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-aminoethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Name2-aminoethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID91323049
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-aminoethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCCN
InChIInChI=1S/C10H20N2O4/c1-7(8(13)15-6-5-11)12-9(14)16-10(2,3)4/h7H,5-6,11H2,1-4H3,(H,12,14)/t7-/m1/s1
InChIKeyMACWEAKMNPYVMD-SSDOTTSWSA-N
XLogP0.40
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 174938444
2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxyethyl 2-methylprop-2-enoate
CID 122369421
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]acetic acid
CID 14629047
ethyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 10913206
[(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
(3,3,3-trifluoro-2,2-dimethylpropyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175315218
2-sulfanylpropan-2-yl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 141480656
tert-butyl N-[(2S)-1-(2-aminoethoxy)propan-2-yl]carbamate
CID 155098755
2-morpholin-4-ylethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 70818235
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
tert-butyl N-(3-oxopentan-2-yl)carbamate
CID 64996768

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of 2-aminoethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 91323049) is 2-aminoethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for 2-aminoethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for 2-aminoethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCCN.
What is the InChIKey of 2-aminoethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is MACWEAKMNPYVMD-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-7(8(13)15-6-5-11)12-9(14)16-10(2,3)4/h7H,5-6,11H2,1-4H3,(H,12,14)/t7-/m1/s1.
What are the key properties of 2-aminoethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
2-aminoethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 232.28 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 91323049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).