2-[[3-[[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid

C16H25N3O4 — CID 129335580

IUPAC2-[[3-[[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid
SMILESCC[C@H](C)c1cc(C(=O)NC2CC(N(CC)CC(=O)O)C2)on1
InChIInChI=1S/C16H25N3O4/c1-4-10(3)13-8-14(23-18-13)16(22)17-11-6-12(7-11)19(5-2)9-15(20)21/h8,10-12H,4-7,9H2,1-3H3,(H,17,22)(H,20,21)/t10-,11?,12?/m0/s1
InChIKeyIWKUHNVRFZNRJX-UNXYVOJBSA-N
MW323.39 g/mol
LogP1.86
Rot. Bonds8

About 2-[[3-[[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 129335580) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[[3-[[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid
PubChem CID129335580
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name2-[[3-[[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid
SMILESCC[C@H](C)c1cc(C(=O)NC2CC(N(CC)CC(=O)O)C2)on1
InChIInChI=1S/C16H25N3O4/c1-4-10(3)13-8-14(23-18-13)16(22)17-11-6-12(7-11)19(5-2)9-15(20)21/h8,10-12H,4-7,9H2,1-3H3,(H,17,22)(H,20,21)/t10-,11?,12?/m0/s1
InChIKeyIWKUHNVRFZNRJX-UNXYVOJBSA-N
XLogP1.86
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid (CID 129335580) is 2-[[3-[[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid is CC[C@H](C)c1cc(C(=O)NC2CC(N(CC)CC(=O)O)C2)on1.
What is the InChIKey of 2-[[3-[[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is IWKUHNVRFZNRJX-UNXYVOJBSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-4-10(3)13-8-14(23-18-13)16(22)17-11-6-12(7-11)19(5-2)9-15(20)21/h8,10-12H,4-7,9H2,1-3H3,(H,17,22)(H,20,21)/t10-,11?,12?/m0/s1.
What are the key properties of 2-[[3-[[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 323.39 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 129335580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).