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

C12H18N2O4 — CID 66189953

IUPAC2-[cyclopropylmethyl-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]amino]acetic acid
SMILESCOCc1cc(CN(CC(=O)O)CC2CC2)no1
InChIInChI=1S/C12H18N2O4/c1-17-8-11-4-10(13-18-11)6-14(7-12(15)16)5-9-2-3-9/h4,9H,2-3,5-8H2,1H3,(H,15,16)
InChIKeyIZQZWZDUWLPRLT-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.12
Rot. Bonds8

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

2-[cyclopropylmethyl-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]amino]acetic acid (PubChem CID 66189953) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]amino]acetic acid
PubChem CID66189953
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[cyclopropylmethyl-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]amino]acetic acid
SMILESCOCc1cc(CN(CC(=O)O)CC2CC2)no1
InChIInChI=1S/C12H18N2O4/c1-17-8-11-4-10(13-18-11)6-14(7-12(15)16)5-9-2-3-9/h4,9H,2-3,5-8H2,1H3,(H,15,16)
InChIKeyIZQZWZDUWLPRLT-UHFFFAOYSA-N
XLogP1.12
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropylmethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetic acid
CID 43656694
2-[cyclopropylmethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
CID 43656577
3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl-methylamino]-2-methylpropanoic acid
CID 66191537
2-[cyclopropylmethyl-[(2,4,5-trimethylphenyl)methyl]amino]acetic acid
CID 114078379
[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]cyclohexyl]methanol
CID 106825219
3-[cyclopropyl-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 66156133
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-(cyclopropylmethyl)amino]acetic acid
CID 43656436
2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]acetic acid
CID 66191336
2-[cyclopropylmethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 43656550
N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631752
3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid
CID 66156614
2-[(2-acetamido-1,3-thiazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid
CID 43656504

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]amino]acetic acid (CID 66189953) is 2-[cyclopropylmethyl-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]amino]acetic acid is COCc1cc(CN(CC(=O)O)CC2CC2)no1.
What is the InChIKey of 2-[cyclopropylmethyl-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]amino]acetic acid?
The InChIKey is IZQZWZDUWLPRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-17-8-11-4-10(13-18-11)6-14(7-12(15)16)5-9-2-3-9/h4,9H,2-3,5-8H2,1H3,(H,15,16).
What are the key properties of 2-[cyclopropylmethyl-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]amino]acetic acid?
2-[cyclopropylmethyl-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]amino]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]amino]acetic acid is sourced from PubChem (CID 66189953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).