(2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid

C12H20N2O4 — CID 80750585

IUPAC(2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(CC1CC2CCC(C1)N2)N[C@H](CO)C(=O)O
InChIInChI=1S/C12H20N2O4/c15-6-10(12(17)18)14-11(16)5-7-3-8-1-2-9(4-7)13-8/h7-10,13,15H,1-6H2,(H,14,16)(H,17,18)/t7?,8?,9?,10-/m1/s1
InChIKeyBTFWFHBVHUYXEM-SYZWKDNESA-N
MW256.30 g/mol
LogP-0.53
Rot. Bonds5

About (2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid

(2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid (PubChem CID 80750585) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
PubChem CID80750585
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(CC1CC2CCC(C1)N2)N[C@H](CO)C(=O)O
InChIInChI=1S/C12H20N2O4/c15-6-10(12(17)18)14-11(16)5-7-3-8-1-2-9(4-7)13-8/h7-10,13,15H,1-6H2,(H,14,16)(H,17,18)/t7?,8?,9?,10-/m1/s1
InChIKeyBTFWFHBVHUYXEM-SYZWKDNESA-N
XLogP-0.53
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid with MolForge

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Related Compounds

(2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid
CID 107146892
(2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 79607868
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-5-methoxypentanoic acid
CID 81084212
3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid
CID 61157563
(2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid
CID 80750139
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 107863325
(2S)-3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid
CID 62675980
3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid
CID 62675458
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 21179606
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methylpentanoic acid
CID 79607263
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide
CID 79608095
4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid
CID 79615753

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid (CID 80750585) is (2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid is O=C(CC1CC2CCC(C1)N2)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid?
The InChIKey is BTFWFHBVHUYXEM-SYZWKDNESA-N. The full InChI is InChI=1S/C12H20N2O4/c15-6-10(12(17)18)14-11(16)5-7-3-8-1-2-9(4-7)13-8/h7-10,13,15H,1-6H2,(H,14,16)(H,17,18)/t7?,8?,9?,10-/m1/s1.
What are the key properties of (2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid?
(2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid has a molecular weight of 256.30 g/mol, XLogP of -0.53, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80750585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).