(2S,5R)-5-(aminomethyl)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide

C17H24N4O3 — CID 120784950

IUPAC(2S,5R)-5-(aminomethyl)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)O1
InChIInChI=1S/C17H24N4O3/c18-10-12-4-6-15(24-12)17(23)20-13-9-11(16(19)22)3-5-14(13)21-7-1-2-8-21/h3,5,9,12,15H,1-2,4,6-8,10,18H2,(H2,19,22)(H,20,23)/t12-,15+/m1/s1
InChIKeyACYGKENTMPECFR-DOMZBBRYSA-N
MW332.40 g/mol
LogP0.83
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide (PubChem CID 120784950) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
PubChem CID120784950
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)O1
InChIInChI=1S/C17H24N4O3/c18-10-12-4-6-15(24-12)17(23)20-13-9-11(16(19)22)3-5-14(13)21-7-1-2-8-21/h3,5,9,12,15H,1-2,4,6-8,10,18H2,(H2,19,22)(H,20,23)/t12-,15+/m1/s1
InChIKeyACYGKENTMPECFR-DOMZBBRYSA-N
XLogP0.83
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120796839
3-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-4-bromobenzoic acid
CID 107813397
(2S,5R)-5-(aminomethyl)-N-(2,4,5-trifluorophenyl)oxolane-2-carboxamide;hydrochloride
CID 120786075
(2S,5R)-5-(aminomethyl)-N-[5-(dimethylcarbamoyl)-2-methylphenyl]oxolane-2-carboxamide
CID 120787020
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 24653936
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclohexylfuran-2-carboxamide
CID 167756186
(2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide
CID 120801756
(2S,5R)-5-(aminomethyl)-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 120786380
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
3-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 30664855
3-[[2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetyl]amino]-4-piperidin-1-ylbenzamide
CID 51631214
5-[(5-carbamoyl-2-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687973

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide (CID 120784950) is (2S,5R)-5-(aminomethyl)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide?
The InChIKey is ACYGKENTMPECFR-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H24N4O3/c18-10-12-4-6-15(24-12)17(23)20-13-9-11(16(19)22)3-5-14(13)21-7-1-2-8-21/h3,5,9,12,15H,1-2,4,6-8,10,18H2,(H2,19,22)(H,20,23)/t12-,15+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 120784950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).