cis-(1S,3R)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]cyclopentane-1-carboxylic acid

C14H21N3O6S — CID 120676458

IUPACcis-(1S,3R)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]cyclopentane-1-carboxylic acid
SMILESCc1noc(C)c1S(=O)(=O)NC(C)C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C14H21N3O6S/c1-7-12(9(3)23-16-7)24(21,22)17-8(2)13(18)15-11-5-4-10(6-11)14(19)20/h8,10-11,17H,4-6H2,1-3H3,(H,15,18)(H,19,20)/t8?,10-,11+/m0/s1
InChIKeyFKHYAUGNIBOQJO-JCBFREDQSA-N
MW359.40 g/mol
LogP0.33
Rot. Bonds6

About cis-(1S,3R)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 120676458) has the molecular formula C14H21N3O6S and a molecular weight of 359.40 g/mol. Its IUPAC name is cis-(1S,3R)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID120676458
Molecular FormulaC14H21N3O6S
Molecular Weight359.40 g/mol
Exact Mass359.12
IUPAC Namecis-(1S,3R)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]cyclopentane-1-carboxylic acid
SMILESCc1noc(C)c1S(=O)(=O)NC(C)C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C14H21N3O6S/c1-7-12(9(3)23-16-7)24(21,22)17-8(2)13(18)15-11-5-4-10(6-11)14(19)20/h8,10-11,17H,4-6H2,1-3H3,(H,15,18)(H,19,20)/t8?,10-,11+/m0/s1
InChIKeyFKHYAUGNIBOQJO-JCBFREDQSA-N
XLogP0.33
TPSA138.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 37293945
(2R)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]propanoic acid
CID 119243729
cis-(1R,3S)-3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678996
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 35805706
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide
CID 119501278
(2S)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]-2-phenylacetic acid
CID 119372302
3,5-dimethyl-N-[(2S)-1-[(4S)-4-methylazepan-1-yl]-1-oxopropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 95040873
3,5-dimethyl-N-[(2S)-1-(3-methyl-2-phenylazetidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 102558465
2-[2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]ethylsulfanyl]acetic acid
CID 119241417
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461302
N-[1-(aminomethyl)cyclopentyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 119565976
3,5-dimethyl-N-(3-methylcyclopentyl)-1,2-oxazole-4-sulfonamide
CID 114545207

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]cyclopentane-1-carboxylic acid (CID 120676458) is cis-(1S,3R)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]cyclopentane-1-carboxylic acid is Cc1noc(C)c1S(=O)(=O)NC(C)C(=O)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is FKHYAUGNIBOQJO-JCBFREDQSA-N. The full InChI is InChI=1S/C14H21N3O6S/c1-7-12(9(3)23-16-7)24(21,22)17-8(2)13(18)15-11-5-4-10(6-11)14(19)20/h8,10-11,17H,4-6H2,1-3H3,(H,15,18)(H,19,20)/t8?,10-,11+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 359.40 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).