(2R)-2-(furo[3,2-c]pyridin-4-ylamino)-3-methylbutanoic acid

C12H14N2O3 — CID 122050846

IUPAC(2R)-2-(furo[3,2-c]pyridin-4-ylamino)-3-methylbutanoic acid
SMILESCC(C)[C@@H](Nc1nccc2occc12)C(=O)O
InChIInChI=1S/C12H14N2O3/c1-7(2)10(12(15)16)14-11-8-4-6-17-9(8)3-5-13-11/h3-7,10H,1-2H3,(H,13,14)(H,15,16)/t10-/m1/s1
InChIKeyACLSHLVXDKEHRM-SNVBAGLBSA-N
MW234.25 g/mol
LogP2.35
Rot. Bonds4

About (2R)-2-(furo[3,2-c]pyridin-4-ylamino)-3-methylbutanoic acid

(2R)-2-(furo[3,2-c]pyridin-4-ylamino)-3-methylbutanoic acid (PubChem CID 122050846) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is (2R)-2-(furo[3,2-c]pyridin-4-ylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-(furo[3,2-c]pyridin-4-ylamino)-3-methylbutanoic acid
PubChem CID122050846
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name(2R)-2-(furo[3,2-c]pyridin-4-ylamino)-3-methylbutanoic acid
SMILESCC(C)[C@@H](Nc1nccc2occc12)C(=O)O
InChIInChI=1S/C12H14N2O3/c1-7(2)10(12(15)16)14-11-8-4-6-17-9(8)3-5-13-11/h3-7,10H,1-2H3,(H,13,14)(H,15,16)/t10-/m1/s1
InChIKeyACLSHLVXDKEHRM-SNVBAGLBSA-N
XLogP2.35
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furo[3,2-c]pyridin-4-ylamino)-N-methylpropanamide
CID 106535100
2-(furo[3,2-c]pyridin-4-ylamino)-N-propan-2-ylpropanamide
CID 106535186
2-(furo[3,2-c]pyridin-4-ylamino)propan-1-ol
CID 103729109
2-(furo[3,2-c]pyridin-4-ylamino)pent-4-enoic acid
CID 106534958
2-(furo[3,2-c]pyridin-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 103911659
3-(furo[3,2-c]pyridin-4-ylamino)butan-1-ol
CID 103703297
N-but-3-en-2-ylfuro[3,2-c]pyridin-4-amine
CID 103750018
N-[1-(furan-2-yl)ethyl]furo[3,2-c]pyridin-4-amine
CID 103702484
N-(3-methylpentan-2-yl)furo[3,2-c]pyridin-4-amine
CID 103819957
2-[(7-hydroxyisoquinolin-1-yl)amino]-3-methylbutanoic acid
CID 106536074
3-N-furo[3,2-c]pyridin-4-yl-4-methylpentane-1,3-diamine
CID 106357602
N-(4-chloro-3-methylbutan-2-yl)furo[3,2-c]pyridin-4-amine
CID 106535732

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(furo[3,2-c]pyridin-4-ylamino)-3-methylbutanoic acid?
The IUPAC name of (2R)-2-(furo[3,2-c]pyridin-4-ylamino)-3-methylbutanoic acid (CID 122050846) is (2R)-2-(furo[3,2-c]pyridin-4-ylamino)-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-(furo[3,2-c]pyridin-4-ylamino)-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-(furo[3,2-c]pyridin-4-ylamino)-3-methylbutanoic acid is CC(C)[C@@H](Nc1nccc2occc12)C(=O)O.
What is the InChIKey of (2R)-2-(furo[3,2-c]pyridin-4-ylamino)-3-methylbutanoic acid?
The InChIKey is ACLSHLVXDKEHRM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7(2)10(12(15)16)14-11-8-4-6-17-9(8)3-5-13-11/h3-7,10H,1-2H3,(H,13,14)(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-(furo[3,2-c]pyridin-4-ylamino)-3-methylbutanoic acid?
(2R)-2-(furo[3,2-c]pyridin-4-ylamino)-3-methylbutanoic acid has a molecular weight of 234.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(furo[3,2-c]pyridin-4-ylamino)-3-methylbutanoic acid is sourced from PubChem (CID 122050846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).