2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid

C13H20N4O4 — CID 115288710

IUPAC2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCCNC1COCC1C(=O)NC(C(=O)O)c1cnn(C)c1
InChIInChI=1S/C13H20N4O4/c1-3-14-10-7-21-6-9(10)12(18)16-11(13(19)20)8-4-15-17(2)5-8/h4-5,9-11,14H,3,6-7H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyLKSXZQYPRCLGPV-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.71
Rot. Bonds6

About 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid

2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid (PubChem CID 115288710) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
PubChem CID115288710
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCCNC1COCC1C(=O)NC(C(=O)O)c1cnn(C)c1
InChIInChI=1S/C13H20N4O4/c1-3-14-10-7-21-6-9(10)12(18)16-11(13(19)20)8-4-15-17(2)5-8/h4-5,9-11,14H,3,6-7H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyLKSXZQYPRCLGPV-UHFFFAOYSA-N
XLogP-0.71
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid (CID 115288710) is 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid is CCNC1COCC1C(=O)NC(C(=O)O)c1cnn(C)c1.
What is the InChIKey of 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid?
The InChIKey is LKSXZQYPRCLGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-3-14-10-7-21-6-9(10)12(18)16-11(13(19)20)8-4-15-17(2)5-8/h4-5,9-11,14H,3,6-7H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid?
2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid has a molecular weight of 296.33 g/mol, XLogP of -0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 115288710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).