(2S,3R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-hydroxybutanoic acid

C10H18N2O4 — CID 104965247

IUPAC(2S,3R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)C1CCC(N)C1)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-5(13)8(10(15)16)12-9(14)6-2-3-7(11)4-6/h5-8,13H,2-4,11H2,1H3,(H,12,14)(H,15,16)/t5-,6?,7?,8+/m1/s1
InChIKeyCJEXWNXAUNYNBH-CQRKAFIDSA-N
MW230.26 g/mol
LogP-0.94
Rot. Bonds4

About (2S,3R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-hydroxybutanoic acid

(2S,3R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-hydroxybutanoic acid (PubChem CID 104965247) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S,3R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-hydroxybutanoic acid
PubChem CID104965247
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S,3R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)C1CCC(N)C1)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-5(13)8(10(15)16)12-9(14)6-2-3-7(11)4-6/h5-8,13H,2-4,11H2,1H3,(H,12,14)(H,15,16)/t5-,6?,7?,8+/m1/s1
InChIKeyCJEXWNXAUNYNBH-CQRKAFIDSA-N
XLogP-0.94
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-hydroxybutanoic acid (CID 104965247) is (2S,3R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-hydroxybutanoic acid is C[C@@H](O)[C@H](NC(=O)C1CCC(N)C1)C(=O)O.
What is the InChIKey of (2S,3R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-hydroxybutanoic acid?
The InChIKey is CJEXWNXAUNYNBH-CQRKAFIDSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-5(13)8(10(15)16)12-9(14)6-2-3-7(11)4-6/h5-8,13H,2-4,11H2,1H3,(H,12,14)(H,15,16)/t5-,6?,7?,8+/m1/s1.
What are the key properties of (2S,3R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-hydroxybutanoic acid?
(2S,3R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-hydroxybutanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.94, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(3-aminocyclopentanecarbonyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 104965247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).