1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid

C16H18N2O5 — CID 75445818

IUPAC1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(COc1cccc(NC(=O)C2CC2)c1)NC1(C(=O)O)CC1
InChIInChI=1S/C16H18N2O5/c19-13(18-16(6-7-16)15(21)22)9-23-12-3-1-2-11(8-12)17-14(20)10-4-5-10/h1-3,8,10H,4-7,9H2,(H,17,20)(H,18,19)(H,21,22)
InChIKeyUSVHHLMERLXQMD-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.15
Rot. Bonds7

About 1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid

1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 75445818) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid
PubChem CID75445818
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(COc1cccc(NC(=O)C2CC2)c1)NC1(C(=O)O)CC1
InChIInChI=1S/C16H18N2O5/c19-13(18-16(6-7-16)15(21)22)9-23-12-3-1-2-11(8-12)17-14(20)10-4-5-10/h1-3,8,10H,4-7,9H2,(H,17,20)(H,18,19)(H,21,22)
InChIKeyUSVHHLMERLXQMD-UHFFFAOYSA-N
XLogP1.15
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120543056
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
N-[3-[2-(2,2-diphenylethylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616709
2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid
CID 119218358
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249671
N-[3-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119433438
1-[[2-(3-nitrophenoxy)acetyl]amino]cyclopropane-1-carboxylic acid
CID 65452394
N-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119420224
N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
N-[3-[2-(3,5-difluoro-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 87031657
N-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 39505500
2-[3-(thiane-4-carbonylamino)phenoxy]acetic acid
CID 120523516

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid (CID 75445818) is 1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid is O=C(COc1cccc(NC(=O)C2CC2)c1)NC1(C(=O)O)CC1.
What is the InChIKey of 1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is USVHHLMERLXQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c19-13(18-16(6-7-16)15(21)22)9-23-12-3-1-2-11(8-12)17-14(20)10-4-5-10/h1-3,8,10H,4-7,9H2,(H,17,20)(H,18,19)(H,21,22).
What are the key properties of 1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid?
1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 318.33 g/mol, XLogP of 1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 75445818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).