(2R)-2-amino-6-[[1-(2-hydroxyprop-2-enyl)piperidin-4-yl]amino]-6-oxohexanoic acid

C14H25N3O4 — CID 170110432

IUPAC(2R)-2-amino-6-[[1-(2-hydroxyprop-2-enyl)piperidin-4-yl]amino]-6-oxohexanoic acid
SMILESC=C(O)CN1CCC(NC(=O)CCC[C@@H](N)C(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-10(18)9-17-7-5-11(6-8-17)16-13(19)4-2-3-12(15)14(20)21/h11-12,18H,1-9,15H2,(H,16,19)(H,20,21)/t12-/m1/s1
InChIKeyBZFZSXARNUAWRZ-GFCCVEGCSA-N
MW299.37 g/mol
LogP0.22
Rot. Bonds8

About (2R)-2-amino-6-[[1-(2-hydroxyprop-2-enyl)piperidin-4-yl]amino]-6-oxohexanoic acid

(2R)-2-amino-6-[[1-(2-hydroxyprop-2-enyl)piperidin-4-yl]amino]-6-oxohexanoic acid (PubChem CID 170110432) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R)-2-amino-6-[[1-(2-hydroxyprop-2-enyl)piperidin-4-yl]amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-6-[[1-(2-hydroxyprop-2-enyl)piperidin-4-yl]amino]-6-oxohexanoic acid
PubChem CID170110432
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name(2R)-2-amino-6-[[1-(2-hydroxyprop-2-enyl)piperidin-4-yl]amino]-6-oxohexanoic acid
SMILESC=C(O)CN1CCC(NC(=O)CCC[C@@H](N)C(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-10(18)9-17-7-5-11(6-8-17)16-13(19)4-2-3-12(15)14(20)21/h11-12,18H,1-9,15H2,(H,16,19)(H,20,21)/t12-/m1/s1
InChIKeyBZFZSXARNUAWRZ-GFCCVEGCSA-N
XLogP0.22
TPSA115.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-6-[[1-(2-hydroxyprop-2-enyl)piperidin-4-yl]amino]-6-oxohexanoic acid?
The IUPAC name of (2R)-2-amino-6-[[1-(2-hydroxyprop-2-enyl)piperidin-4-yl]amino]-6-oxohexanoic acid (CID 170110432) is (2R)-2-amino-6-[[1-(2-hydroxyprop-2-enyl)piperidin-4-yl]amino]-6-oxohexanoic acid.
What is the SMILES notation for (2R)-2-amino-6-[[1-(2-hydroxyprop-2-enyl)piperidin-4-yl]amino]-6-oxohexanoic acid?
The canonical SMILES for (2R)-2-amino-6-[[1-(2-hydroxyprop-2-enyl)piperidin-4-yl]amino]-6-oxohexanoic acid is C=C(O)CN1CCC(NC(=O)CCC[C@@H](N)C(=O)O)CC1.
What is the InChIKey of (2R)-2-amino-6-[[1-(2-hydroxyprop-2-enyl)piperidin-4-yl]amino]-6-oxohexanoic acid?
The InChIKey is BZFZSXARNUAWRZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-10(18)9-17-7-5-11(6-8-17)16-13(19)4-2-3-12(15)14(20)21/h11-12,18H,1-9,15H2,(H,16,19)(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-6-[[1-(2-hydroxyprop-2-enyl)piperidin-4-yl]amino]-6-oxohexanoic acid?
(2R)-2-amino-6-[[1-(2-hydroxyprop-2-enyl)piperidin-4-yl]amino]-6-oxohexanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.22, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-6-[[1-(2-hydroxyprop-2-enyl)piperidin-4-yl]amino]-6-oxohexanoic acid is sourced from PubChem (CID 170110432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).