2-amino-4-hydroxy-4-(3-methylcyclopentyl)butanoic acid;(2S)-1-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid

C18H34N2O6 — CID 143325587

IUPAC2-amino-4-hydroxy-4-(3-methylcyclopentyl)butanoic acid;(2S)-1-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid
SMILESCC(O)CN1CCC[C@H]1C(=O)O.CC1CCC(C(O)CC(N)C(=O)O)C1
InChIInChI=1S/C10H19NO3.C8H15NO3/c1-6-2-3-7(4-6)9(12)5-8(11)10(13)14;1-6(10)5-9-4-2-3-7(9)8(11)12/h6-9,12H,2-5,11H2,1H3,(H,13,14);6-7,10H,2-5H2,1H3,(H,11,12)/t;6?,7-/m.0/s1
InChIKeyBYJMKKAHBCGDAU-IOKFPZHUSA-N
MW374.48 g/mol
LogP0.50
Rot. Bonds7

About 2-amino-4-hydroxy-4-(3-methylcyclopentyl)butanoic acid;(2S)-1-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid

2-amino-4-hydroxy-4-(3-methylcyclopentyl)butanoic acid;(2S)-1-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid (PubChem CID 143325587) has the molecular formula C18H34N2O6 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-amino-4-hydroxy-4-(3-methylcyclopentyl)butanoic acid;(2S)-1-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-hydroxy-4-(3-methylcyclopentyl)butanoic acid;(2S)-1-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid
PubChem CID143325587
Molecular FormulaC18H34N2O6
Molecular Weight374.48 g/mol
Exact Mass374.24
IUPAC Name2-amino-4-hydroxy-4-(3-methylcyclopentyl)butanoic acid;(2S)-1-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid
SMILESCC(O)CN1CCC[C@H]1C(=O)O.CC1CCC(C(O)CC(N)C(=O)O)C1
InChIInChI=1S/C10H19NO3.C8H15NO3/c1-6-2-3-7(4-6)9(12)5-8(11)10(13)14;1-6(10)5-9-4-2-3-7(9)8(11)12/h6-9,12H,2-5,11H2,1H3,(H,13,14);6-7,10H,2-5H2,1H3,(H,11,12)/t;6?,7-/m.0/s1
InChIKeyBYJMKKAHBCGDAU-IOKFPZHUSA-N
XLogP0.50
TPSA144.32 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 50.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxy-4-(3-methylcyclopentyl)butanoic acid;(2S)-1-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-amino-4-hydroxy-4-(3-methylcyclopentyl)butanoic acid;(2S)-1-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid (CID 143325587) is 2-amino-4-hydroxy-4-(3-methylcyclopentyl)butanoic acid;(2S)-1-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-amino-4-hydroxy-4-(3-methylcyclopentyl)butanoic acid;(2S)-1-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-amino-4-hydroxy-4-(3-methylcyclopentyl)butanoic acid;(2S)-1-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid is CC(O)CN1CCC[C@H]1C(=O)O.CC1CCC(C(O)CC(N)C(=O)O)C1.
What is the InChIKey of 2-amino-4-hydroxy-4-(3-methylcyclopentyl)butanoic acid;(2S)-1-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid?
The InChIKey is BYJMKKAHBCGDAU-IOKFPZHUSA-N. The full InChI is InChI=1S/C10H19NO3.C8H15NO3/c1-6-2-3-7(4-6)9(12)5-8(11)10(13)14;1-6(10)5-9-4-2-3-7(9)8(11)12/h6-9,12H,2-5,11H2,1H3,(H,13,14);6-7,10H,2-5H2,1H3,(H,11,12)/t;6?,7-/m.0/s1.
What are the key properties of 2-amino-4-hydroxy-4-(3-methylcyclopentyl)butanoic acid;(2S)-1-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid?
2-amino-4-hydroxy-4-(3-methylcyclopentyl)butanoic acid;(2S)-1-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid has a molecular weight of 374.48 g/mol, XLogP of 0.50, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxy-4-(3-methylcyclopentyl)butanoic acid;(2S)-1-(2-hydroxypropyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 143325587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).