(2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid

C13H23NO6 — CID 11231566

IUPAC(2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
SMILESC[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO6/c1-8(9(15)16)14(10(17)19-12(2,3)4)11(18)20-13(5,6)7/h8H,1-7H3,(H,15,16)/t8-/m0/s1
InChIKeyXMIVRIIWHXNEPS-QMMMGPOBSA-N
MW289.33 g/mol
LogP2.63
Rot. Bonds2

About (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid

(2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid (PubChem CID 11231566) has the molecular formula C13H23NO6 and a molecular weight of 289.33 g/mol. Its IUPAC name is (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
PubChem CID11231566
Molecular FormulaC13H23NO6
Molecular Weight289.33 g/mol
Exact Mass289.15
IUPAC Name(2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
SMILESC[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO6/c1-8(9(15)16)14(10(17)19-12(2,3)4)11(18)20-13(5,6)7/h8H,1-7H3,(H,15,16)/t8-/m0/s1
InChIKeyXMIVRIIWHXNEPS-QMMMGPOBSA-N
XLogP2.63
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-
CID 83692
Boc-N-methyl-L-valine
CID 7010608
2-(((Tert-butoxy)carbonyl)(methyl)amino)propanoic acid
CID 4436857
(2S)-2-(((tert-butoxy)carbonyl)(methyl)amino)propanoic acid
CID 7009590
2-{[(Tert-butoxy)carbonyl](methyl)amino}-2-methylpropanoic acid
CID 2734752
N-(tert-Butoxycarbonyl)iminodiacetic Acid
CID 2755971
(2S)-2-(((1,1-Dimethylethoxy)carbonyl)methylamino)butanoic acid
CID 15689337
2-{[(Tert-butoxy)carbonyl](cyclopropyl)amino}acetic acid
CID 22476118
2-{[(Tert-butoxy)carbonyl](ethyl)amino}acetic acid
CID 12991451
2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)propanoic acid
CID 2735645
2-{[(Tert-butoxy)carbonyl](propan-2-yl)amino}acetic acid
CID 10465935
2-(((Tert-butoxy)carbonyl)(propyl)amino)acetic acid
CID 12136629

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid (CID 11231566) is (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid is C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The InChIKey is XMIVRIIWHXNEPS-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H23NO6/c1-8(9(15)16)14(10(17)19-12(2,3)4)11(18)20-13(5,6)7/h8H,1-7H3,(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
(2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid has a molecular weight of 289.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid is sourced from PubChem (CID 11231566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).