ethane;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid

C14H26N2O5 — CID 168941973

IUPACethane;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid
SMILESCC.CC(C)(C)OC(=O)NC(CC1CCNC1=O)C(=O)O
InChIInChI=1S/C12H20N2O5.C2H6/c1-12(2,3)19-11(18)14-8(10(16)17)6-7-4-5-13-9(7)15;1-2/h7-8H,4-6H2,1-3H3,(H,13,15)(H,14,18)(H,16,17);1-2H3
InChIKeyYKXDVZHYCTVUCD-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.52
Rot. Bonds4

About ethane;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid

ethane;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid (PubChem CID 168941973) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is ethane;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid.

Molecular Properties

Compound Nameethane;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid
PubChem CID168941973
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Nameethane;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid
SMILESCC.CC(C)(C)OC(=O)NC(CC1CCNC1=O)C(=O)O
InChIInChI=1S/C12H20N2O5.C2H6/c1-12(2,3)19-11(18)14-8(10(16)17)6-7-4-5-13-9(7)15;1-2/h7-8H,4-6H2,1-3H3,(H,13,15)(H,14,18)(H,16,17);1-2H3
InChIKeyYKXDVZHYCTVUCD-UHFFFAOYSA-N
XLogP1.52
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid?
The IUPAC name of ethane;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid (CID 168941973) is ethane;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid.
What is the SMILES notation for ethane;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid?
The canonical SMILES for ethane;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid is CC.CC(C)(C)OC(=O)NC(CC1CCNC1=O)C(=O)O.
What is the InChIKey of ethane;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid?
The InChIKey is YKXDVZHYCTVUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5.C2H6/c1-12(2,3)19-11(18)14-8(10(16)17)6-7-4-5-13-9(7)15;1-2/h7-8H,4-6H2,1-3H3,(H,13,15)(H,14,18)(H,16,17);1-2H3.
What are the key properties of ethane;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid?
ethane;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid has a molecular weight of 302.37 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoic acid is sourced from PubChem (CID 168941973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).