2-[cyclopentyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid

C14H21N3O4 — CID 106389276

IUPAC2-[cyclopentyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
SMILESCc1cnc(C(C)NC(=O)N(CC(=O)O)C2CCCC2)o1
InChIInChI=1S/C14H21N3O4/c1-9-7-15-13(21-9)10(2)16-14(20)17(8-12(18)19)11-5-3-4-6-11/h7,10-11H,3-6,8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyJASGAXWDDYORBM-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.08
Rot. Bonds5

About 2-[cyclopentyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid

2-[cyclopentyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid (PubChem CID 106389276) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[cyclopentyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
PubChem CID106389276
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[cyclopentyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
SMILESCc1cnc(C(C)NC(=O)N(CC(=O)O)C2CCCC2)o1
InChIInChI=1S/C14H21N3O4/c1-9-7-15-13(21-9)10(2)16-14(20)17(8-12(18)19)11-5-3-4-6-11/h7,10-11H,3-6,8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyJASGAXWDDYORBM-UHFFFAOYSA-N
XLogP2.08
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 106389320
1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea
CID 103947062
3-[methyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]propanoic acid
CID 106389285
2-[2-methoxyethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 106389409
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 106387752
(2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid
CID 106389255
2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]piperidin-3-yl]acetic acid
CID 106389432
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidine-2-carboxamide
CID 114182398
cis-(1S,2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106387762
2-[cyclopentyl-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid
CID 61465951
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
CID 106390070
2-(1-aminocyclobutyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 106388275

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid (CID 106389276) is 2-[cyclopentyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid is Cc1cnc(C(C)NC(=O)N(CC(=O)O)C2CCCC2)o1.
What is the InChIKey of 2-[cyclopentyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid?
The InChIKey is JASGAXWDDYORBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-9-7-15-13(21-9)10(2)16-14(20)17(8-12(18)19)11-5-3-4-6-11/h7,10-11H,3-6,8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[cyclopentyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid?
2-[cyclopentyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid has a molecular weight of 295.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 106389276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).