(2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

C11H21NO4 — CID 15259325

IUPAC(2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCC[C@H](CCNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-5-8(9(13)14)6-7-12-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChIKeyBDRCIETWVHQBHF-MRVPVSSYSA-N
MW231.29 g/mol
LogP2.01
Rot. Bonds5

About (2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

(2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (PubChem CID 15259325) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is (2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
PubChem CID15259325
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name(2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCC[C@H](CCNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-5-8(9(13)14)6-7-12-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChIKeyBDRCIETWVHQBHF-MRVPVSSYSA-N
XLogP2.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The IUPAC name of (2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (CID 15259325) is (2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
What is the SMILES notation for (2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The canonical SMILES for (2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is CC[C@H](CCNC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The InChIKey is BDRCIETWVHQBHF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-5-8(9(13)14)6-7-12-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
(2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid has a molecular weight of 231.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is sourced from PubChem (CID 15259325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).