cis-(1R,3S)-3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid

C18H23NO3 — CID 120678574

IUPACcis-(1R,3S)-3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CC1CCc2ccccc2C1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C18H23NO3/c20-17(19-16-8-7-15(11-16)18(21)22)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-4,12,15-16H,5-11H2,(H,19,20)(H,21,22)/t12?,15-,16+/m1/s1
InChIKeyAGNBWTFCPMSJTE-AGIABQAESA-N
MW301.39 g/mol
LogP2.55
Rot. Bonds4

About cis-(1R,3S)-3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120678574) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120678574
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Namecis-(1R,3S)-3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CC1CCc2ccccc2C1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C18H23NO3/c20-17(19-16-8-7-15(11-16)18(21)22)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-4,12,15-16H,5-11H2,(H,19,20)(H,21,22)/t12?,15-,16+/m1/s1
InChIKeyAGNBWTFCPMSJTE-AGIABQAESA-N
XLogP2.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1R,3S)-3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

N-(2-methylpiperidin-4-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 120599788
cis-(1R,3S)-3-[(2-cyclopropylacetyl)amino]cyclopentane-1-carboxylic acid
CID 106320836
N-piperidin-3-yl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119427896
2-(2,3-dihydro-1H-inden-2-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 91833981
3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66031106
cis-(1R,3S)-3-(2,3-dihydro-1H-indene-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 120679080
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081
3-[(2-phenylsulfanylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66031331
2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid
CID 129362346
cis-(1S,3R)-3-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 178193480
cis-(1R,3S)-3-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677529
3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030527

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 120678574) is cis-(1R,3S)-3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(CC1CCc2ccccc2C1)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is AGNBWTFCPMSJTE-AGIABQAESA-N. The full InChI is InChI=1S/C18H23NO3/c20-17(19-16-8-7-15(11-16)18(21)22)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-4,12,15-16H,5-11H2,(H,19,20)(H,21,22)/t12?,15-,16+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 301.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).