(2R)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoic acid

C12H22N2O5 — CID 138991037

IUPAC(2R)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-5-6-8(10(16)17)14-9(15)7-13-11(18)19-12(2,3)4/h8H,5-7H2,1-4H3,(H,13,18)(H,14,15)(H,16,17)/t8-/m1/s1
InChIKeyJNNJOMPUVLLTKR-MRVPVSSYSA-N
MW274.32 g/mol
LogP0.88
Rot. Bonds6

About (2R)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoic acid

(2R)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoic acid (PubChem CID 138991037) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2R)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoic acid
PubChem CID138991037
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name(2R)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-5-6-8(10(16)17)14-9(15)7-13-11(18)19-12(2,3)4/h8H,5-7H2,1-4H3,(H,13,18)(H,14,15)(H,16,17)/t8-/m1/s1
InChIKeyJNNJOMPUVLLTKR-MRVPVSSYSA-N
XLogP0.88
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoic acid (CID 138991037) is (2R)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoic acid is CCC[C@@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoic acid?
The InChIKey is JNNJOMPUVLLTKR-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-5-6-8(10(16)17)14-9(15)7-13-11(18)19-12(2,3)4/h8H,5-7H2,1-4H3,(H,13,18)(H,14,15)(H,16,17)/t8-/m1/s1.
What are the key properties of (2R)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoic acid?
(2R)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoic acid is sourced from PubChem (CID 138991037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).