(2S)-1-[1-(aminomethyl)cycloheptanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid

C14H24N2O4 — CID 115443975

IUPAC(2S)-1-[1-(aminomethyl)cycloheptanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNCC1(C(=O)N2CC(O)C[C@H]2C(=O)O)CCCCCC1
InChIInChI=1S/C14H24N2O4/c15-9-14(5-3-1-2-4-6-14)13(20)16-8-10(17)7-11(16)12(18)19/h10-11,17H,1-9,15H2,(H,18,19)/t10?,11-/m0/s1
InChIKeyNUERBVQMCBIINP-DTIOYNMSSA-N
MW284.36 g/mol
LogP0.33
Rot. Bonds3

About (2S)-1-[1-(aminomethyl)cycloheptanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S)-1-[1-(aminomethyl)cycloheptanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 115443975) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S)-1-[1-(aminomethyl)cycloheptanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[1-(aminomethyl)cycloheptanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID115443975
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(2S)-1-[1-(aminomethyl)cycloheptanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNCC1(C(=O)N2CC(O)C[C@H]2C(=O)O)CCCCCC1
InChIInChI=1S/C14H24N2O4/c15-9-14(5-3-1-2-4-6-14)13(20)16-8-10(17)7-11(16)12(18)19/h10-11,17H,1-9,15H2,(H,18,19)/t10?,11-/m0/s1
InChIKeyNUERBVQMCBIINP-DTIOYNMSSA-N
XLogP0.33
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-1-[1-(aminomethyl)cyclohexanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115437924
(2R,4R)-1-[1-(aminomethyl)cyclobutanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115448609
(2S,4S)-1-[1-(aminomethyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115453405
(2S,4S)-1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115442265
(2S,4R)-1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844209
4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 106826144
(2S)-1-[2-(1-aminocyclohexyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64677366
1-[4-(aminomethyl)oxane-4-carbonyl]-4-hydroxypyrrolidine-2-carboxamide
CID 115439295
(2R,4R)-1-[2-(1-aminocyclopentyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000054
1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 81172474
(2S)-1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 81171783
(2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 113430852

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-(aminomethyl)cycloheptanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[1-(aminomethyl)cycloheptanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 115443975) is (2S)-1-[1-(aminomethyl)cycloheptanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[1-(aminomethyl)cycloheptanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[1-(aminomethyl)cycloheptanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid is NCC1(C(=O)N2CC(O)C[C@H]2C(=O)O)CCCCCC1.
What is the InChIKey of (2S)-1-[1-(aminomethyl)cycloheptanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is NUERBVQMCBIINP-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H24N2O4/c15-9-14(5-3-1-2-4-6-14)13(20)16-8-10(17)7-11(16)12(18)19/h10-11,17H,1-9,15H2,(H,18,19)/t10?,11-/m0/s1.
What are the key properties of (2S)-1-[1-(aminomethyl)cycloheptanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S)-1-[1-(aminomethyl)cycloheptanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-(aminomethyl)cycloheptanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 115443975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).