(2S)-3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid

C10H18N2O4 — CID 62675980

IUPAC(2S)-3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid
SMILESO=C(CC1CCCNC1)N[C@@H](CO)C(=O)O
InChIInChI=1S/C10H18N2O4/c13-6-8(10(15)16)12-9(14)4-7-2-1-3-11-5-7/h7-8,11,13H,1-6H2,(H,12,14)(H,15,16)/t7?,8-/m0/s1
InChIKeyPOHDBVHJLAERCI-MQWKRIRWSA-N
MW230.26 g/mol
LogP-1.06
Rot. Bonds5

About (2S)-3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid

(2S)-3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid (PubChem CID 62675980) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid
PubChem CID62675980
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S)-3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid
SMILESO=C(CC1CCCNC1)N[C@@H](CO)C(=O)O
InChIInChI=1S/C10H18N2O4/c13-6-8(10(15)16)12-9(14)4-7-2-1-3-11-5-7/h7-8,11,13H,1-6H2,(H,12,14)(H,15,16)/t7?,8-/m0/s1
InChIKeyPOHDBVHJLAERCI-MQWKRIRWSA-N
XLogP-1.06
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid
CID 62675458
(2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid
CID 80750139
(2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid
CID 62676165
3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid
CID 61157563
2-methyl-6-[(2-piperidin-3-ylacetyl)amino]heptanoic acid
CID 65285664
(2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 80750585
N-(2,3-dihydroxypropyl)-2-piperidin-3-ylacetamide
CID 66170381
N-ethyl-2-[(2-piperidin-3-ylacetyl)amino]propanamide
CID 62691243
3-methoxy-2-(3-piperidin-3-ylpropanoylamino)propanoic acid
CID 81078722
2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 103161841
(2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 107822267
N-(2-hydroxyethyl)-2-piperidin-3-ylacetamide
CID 22929447

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid (CID 62675980) is (2S)-3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid is O=C(CC1CCCNC1)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid?
The InChIKey is POHDBVHJLAERCI-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H18N2O4/c13-6-8(10(15)16)12-9(14)4-7-2-1-3-11-5-7/h7-8,11,13H,1-6H2,(H,12,14)(H,15,16)/t7?,8-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid?
(2S)-3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid has a molecular weight of 230.26 g/mol, XLogP of -1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 62675980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).