(2R,4R)-1-[1-(aminomethyl)cyclobutanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid

C11H18N2O4 — CID 115448609

IUPAC(2R,4R)-1-[1-(aminomethyl)cyclobutanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNCC1(C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)CCC1
InChIInChI=1S/C11H18N2O4/c12-6-11(2-1-3-11)10(17)13-5-7(14)4-8(13)9(15)16/h7-8,14H,1-6,12H2,(H,15,16)/t7-,8-/m1/s1
InChIKeyQYGDYUFOYKHVBY-HTQZYQBOSA-N
MW242.27 g/mol
LogP-0.84
Rot. Bonds3

About (2R,4R)-1-[1-(aminomethyl)cyclobutanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4R)-1-[1-(aminomethyl)cyclobutanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 115448609) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is (2R,4R)-1-[1-(aminomethyl)cyclobutanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-[1-(aminomethyl)cyclobutanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID115448609
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name(2R,4R)-1-[1-(aminomethyl)cyclobutanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNCC1(C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)CCC1
InChIInChI=1S/C11H18N2O4/c12-6-11(2-1-3-11)10(17)13-5-7(14)4-8(13)9(15)16/h7-8,14H,1-6,12H2,(H,15,16)/t7-,8-/m1/s1
InChIKeyQYGDYUFOYKHVBY-HTQZYQBOSA-N
XLogP-0.84
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.84
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
(2S)-1-[1-(aminomethyl)cycloheptanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115443975
(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)-1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 81171783
1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 81172474
1-[4-(aminomethyl)oxane-4-carbonyl]-4-hydroxypyrrolidine-2-carboxamide
CID 115439295
(2S,4R)-1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844209
4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 106826144
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362
(2R,4S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 7129275
(2R,4R)-1-[2-(1-aminocyclopentyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000054

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[1-(aminomethyl)cyclobutanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-[1-(aminomethyl)cyclobutanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 115448609) is (2R,4R)-1-[1-(aminomethyl)cyclobutanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-[1-(aminomethyl)cyclobutanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-[1-(aminomethyl)cyclobutanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid is NCC1(C(=O)N2C[C@H](O)C[C@@H]2C(=O)O)CCC1.
What is the InChIKey of (2R,4R)-1-[1-(aminomethyl)cyclobutanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is QYGDYUFOYKHVBY-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H18N2O4/c12-6-11(2-1-3-11)10(17)13-5-7(14)4-8(13)9(15)16/h7-8,14H,1-6,12H2,(H,15,16)/t7-,8-/m1/s1.
What are the key properties of (2R,4R)-1-[1-(aminomethyl)cyclobutanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-[1-(aminomethyl)cyclobutanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-[1-(aminomethyl)cyclobutanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 115448609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).