(1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide;hydrochloride

C12H21ClN4O4 — CID 163334504

IUPAC(1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCOCCc1noc(CNC(=O)[C@H]2C[C@H](N)[C@@H](O)C2)n1.Cl
InChIInChI=1S/C12H20N4O4.ClH/c1-19-3-2-10-15-11(20-16-10)6-14-12(18)7-4-8(13)9(17)5-7;/h7-9,17H,2-6,13H2,1H3,(H,14,18);1H/t7-,8-,9-;/m0./s1
InChIKeyHXAFVKXWFQGRQW-YWUTZLAHSA-N
MW320.78 g/mol
LogP-0.61
Rot. Bonds6

About (1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide;hydrochloride

(1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 163334504) has the molecular formula C12H21ClN4O4 and a molecular weight of 320.78 g/mol. Its IUPAC name is (1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID163334504
Molecular FormulaC12H21ClN4O4
Molecular Weight320.78 g/mol
Exact Mass320.13
IUPAC Name(1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCOCCc1noc(CNC(=O)[C@H]2C[C@H](N)[C@@H](O)C2)n1.Cl
InChIInChI=1S/C12H20N4O4.ClH/c1-19-3-2-10-15-11(20-16-10)6-14-12(18)7-4-8(13)9(17)5-7;/h7-9,17H,2-6,13H2,1H3,(H,14,18);1H/t7-,8-,9-;/m0./s1
InChIKeyHXAFVKXWFQGRQW-YWUTZLAHSA-N
XLogP-0.61
TPSA123.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide
CID 154820587
(1S,3R,4R)-3-amino-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;hydrochloride
CID 155940256
(3S)-1-(cyclohexylmethyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopiperidine-3-carboxamide
CID 97122705
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide
CID 122556515
(3R)-1-tert-butyl-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 97132355
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propylpyrimidine-5-carboxamide
CID 122569344
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylcyclohexane-1-carboxamide
CID 118787223
1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
CID 75530723
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
CID 47437849
(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 125438766
1-(2,6-dimethoxy-3-pyridinyl)-3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 72863828
(1S,3R,4R)-3-amino-4-hydroxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 155938503

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of (1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide;hydrochloride (CID 163334504) is (1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for (1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for (1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide;hydrochloride is COCCc1noc(CNC(=O)[C@H]2C[C@H](N)[C@@H](O)C2)n1.Cl.
What is the InChIKey of (1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is HXAFVKXWFQGRQW-YWUTZLAHSA-N. The full InChI is InChI=1S/C12H20N4O4.ClH/c1-19-3-2-10-15-11(20-16-10)6-14-12(18)7-4-8(13)9(17)5-7;/h7-9,17H,2-6,13H2,1H3,(H,14,18);1H/t7-,8-,9-;/m0./s1.
What are the key properties of (1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide;hydrochloride?
(1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 320.78 g/mol, XLogP of -0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 163334504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).