2-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopyrrolidin-2-yl]acetic acid

C11H18N2O5 — CID 89464799

IUPAC2-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopyrrolidin-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CC(=O)N[C@@H]1CC(=O)O
InChIInChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)13-6-4-8(14)12-7(6)5-9(15)16/h6-7H,4-5H2,1-3H3,(H,12,14)(H,13,17)(H,15,16)/t6-,7+/m0/s1
InChIKeyZLHRXJYRNFLAHS-NKWVEPMBSA-N
MW258.27 g/mol
LogP0.24
Rot. Bonds3

About 2-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopyrrolidin-2-yl]acetic acid

2-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopyrrolidin-2-yl]acetic acid (PubChem CID 89464799) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopyrrolidin-2-yl]acetic acid
PubChem CID89464799
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopyrrolidin-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CC(=O)N[C@@H]1CC(=O)O
InChIInChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)13-6-4-8(14)12-7(6)5-9(15)16/h6-7H,4-5H2,1-3H3,(H,12,14)(H,13,17)(H,15,16)/t6-,7+/m0/s1
InChIKeyZLHRXJYRNFLAHS-NKWVEPMBSA-N
XLogP0.24
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopyrrolidin-2-yl]acetic acid with MolForge

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Related Compounds

(3R)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]hexanedioic acid
CID 92176531
(3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 14212486
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 162411056
(3S,4R)-1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylic acid
CID 178200776
Boc-L-beta-Homoglutamine
CID 2761810
Boc-beta-HoGln-OH Boc-beta-Homoglutamine
CID 4338263
2-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl]acetic acid
CID 18606084
(3R,4S)-3-amino-5-(ethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 18607786
(3R,4S)-3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 18607793
(3R,4S)-3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 18607794
(3S,4S)-3-amino-5-(ethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 18607803
(3S,4S)-3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 18607808

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopyrrolidin-2-yl]acetic acid (CID 89464799) is 2-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopyrrolidin-2-yl]acetic acid is CC(C)(C)OC(=O)N[C@H]1CC(=O)N[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopyrrolidin-2-yl]acetic acid?
The InChIKey is ZLHRXJYRNFLAHS-NKWVEPMBSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)13-6-4-8(14)12-7(6)5-9(15)16/h6-7H,4-5H2,1-3H3,(H,12,14)(H,13,17)(H,15,16)/t6-,7+/m0/s1.
What are the key properties of 2-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopyrrolidin-2-yl]acetic acid?
2-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopyrrolidin-2-yl]acetic acid has a molecular weight of 258.27 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 89464799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).