cis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid

C19H22N2O3 — CID 120678711

IUPACcis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC(C)c1cc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c2ccccc2n1
InChIInChI=1S/C19H22N2O3/c1-11(2)17-10-15(14-5-3-4-6-16(14)21-17)18(22)20-13-8-7-12(9-13)19(23)24/h3-6,10-13H,7-9H2,1-2H3,(H,20,22)(H,23,24)/t12-,13+/m1/s1
InChIKeySIADZNHPOVTUKG-OLZOCXBDSA-N
MW326.40 g/mol
LogP3.34
Rot. Bonds4

About cis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120678711) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120678711
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namecis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC(C)c1cc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c2ccccc2n1
InChIInChI=1S/C19H22N2O3/c1-11(2)17-10-15(14-5-3-4-6-16(14)21-17)18(22)20-13-8-7-12(9-13)19(23)24/h3-6,10-13H,7-9H2,1-2H3,(H,20,22)(H,23,24)/t12-,13+/m1/s1
InChIKeySIADZNHPOVTUKG-OLZOCXBDSA-N
XLogP3.34
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propan-2-ylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 154737644
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-propan-2-ylquinoline-4-carboxamide
CID 24617778
1-(2-propan-2-ylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355193
N-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide
CID 5216224
2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid
CID 122058339
N-[3-(cyclopropylmethoxy)propyl]-2-propan-2-ylquinoline-4-carboxamide
CID 31797853
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
N-cyclopropyl-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-4-carboxamide
CID 133486230
N-[2-(methylamino)propyl]-2-propan-2-ylquinoline-4-carboxamide
CID 120829996
N-phenylmethoxy-2-propan-2-ylquinoline-4-carboxamide
CID 32579560
N-(3-hydroxyphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 78823331
N-(3,4-difluorophenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562695

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120678711) is cis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid is CC(C)c1cc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c2ccccc2n1.
What is the InChIKey of cis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is SIADZNHPOVTUKG-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-11(2)17-10-15(14-5-3-4-6-16(14)21-17)18(22)20-13-8-7-12(9-13)19(23)24/h3-6,10-13H,7-9H2,1-2H3,(H,20,22)(H,23,24)/t12-,13+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).