(2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-3-hydroxypropanoic acid

C11H18N2O4 — CID 80750134

IUPAC(2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-3-hydroxypropanoic acid
SMILESNC1C2CCC(C2)C1C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H18N2O4/c12-9-6-2-1-5(3-6)8(9)10(15)13-7(4-14)11(16)17/h5-9,14H,1-4,12H2,(H,13,15)(H,16,17)/t5?,6?,7-,8?,9?/m1/s1
InChIKeyQDTIHVLSIQZILP-VXMMNQATSA-N
MW242.27 g/mol
LogP-1.08
Rot. Bonds4

About (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-3-hydroxypropanoic acid

(2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 80750134) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-3-hydroxypropanoic acid
PubChem CID80750134
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name(2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-3-hydroxypropanoic acid
SMILESNC1C2CCC(C2)C1C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H18N2O4/c12-9-6-2-1-5(3-6)8(9)10(15)13-7(4-14)11(16)17/h5-9,14H,1-4,12H2,(H,13,15)(H,16,17)/t5?,6?,7-,8?,9?/m1/s1
InChIKeyQDTIHVLSIQZILP-VXMMNQATSA-N
XLogP-1.08
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-3-hydroxypropanoic acid (CID 80750134) is (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-3-hydroxypropanoic acid is NC1C2CCC(C2)C1C(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is QDTIHVLSIQZILP-VXMMNQATSA-N. The full InChI is InChI=1S/C11H18N2O4/c12-9-6-2-1-5(3-6)8(9)10(15)13-7(4-14)11(16)17/h5-9,14H,1-4,12H2,(H,13,15)(H,16,17)/t5?,6?,7-,8?,9?/m1/s1.
What are the key properties of (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-3-hydroxypropanoic acid?
(2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-3-hydroxypropanoic acid has a molecular weight of 242.27 g/mol, XLogP of -1.08, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80750134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).