(2R)-2-amino-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid

C12H23N3O4 — CID 157029162

IUPAC(2R)-2-amino-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid
SMILESN[C@H](CCCCNC(=O)CN1CCOCC1)C(=O)O
InChIInChI=1S/C12H23N3O4/c13-10(12(17)18)3-1-2-4-14-11(16)9-15-5-7-19-8-6-15/h10H,1-9,13H2,(H,14,16)(H,17,18)/t10-/m1/s1
InChIKeySBGJOKBYXDMTJV-SNVBAGLBSA-N
MW273.33 g/mol
LogP-0.98
Rot. Bonds8

About (2R)-2-amino-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid

(2R)-2-amino-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid (PubChem CID 157029162) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2R)-2-amino-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid
PubChem CID157029162
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name(2R)-2-amino-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid
SMILESN[C@H](CCCCNC(=O)CN1CCOCC1)C(=O)O
InChIInChI=1S/C12H23N3O4/c13-10(12(17)18)3-1-2-4-14-11(16)9-15-5-7-19-8-6-15/h10H,1-9,13H2,(H,14,16)(H,17,18)/t10-/m1/s1
InChIKeySBGJOKBYXDMTJV-SNVBAGLBSA-N
XLogP-0.98
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-formamido-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid
CID 157029157
(2S)-2-amino-5-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoic acid
CID 177035728
(2S)-2-amino-4-[(4-morpholin-4-yl-4-oxobutanoyl)amino]butanoic acid
CID 70945752
2-amino-6-[[(7S,8S)-7-[(S)-amino(morpholin-4-yl)methyl]-8-hydroxy-6-oxo-8-phenyloctanoyl]amino]hexanoic acid
CID 70185311
24-[[(5S)-5-amino-5-carboxypentyl]amino]-24-oxotetracosanoic acid
CID 102018934
20-[[(5S)-5-amino-5-carboxypentyl]amino]-20-oxoicosanoic acid
CID 123299935
6-[(4-acetylpiperazine-1-carbonyl)amino]-2-aminohexanoic acid
CID 130218221
2-morpholin-4-yl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 86019043
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
2-amino-6-(phosphanylamino)hexanoic acid
CID 58918471
(2S)-2-amino-6-(8-aminooctanoylamino)hexanoic acid
CID 89408700
(2S)-2,6-bis[[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]hexanoic acid
CID 59921848

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid?
The IUPAC name of (2R)-2-amino-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid (CID 157029162) is (2R)-2-amino-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid.
What is the SMILES notation for (2R)-2-amino-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid?
The canonical SMILES for (2R)-2-amino-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid is N[C@H](CCCCNC(=O)CN1CCOCC1)C(=O)O.
What is the InChIKey of (2R)-2-amino-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid?
The InChIKey is SBGJOKBYXDMTJV-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23N3O4/c13-10(12(17)18)3-1-2-4-14-11(16)9-15-5-7-19-8-6-15/h10H,1-9,13H2,(H,14,16)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid?
(2R)-2-amino-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid has a molecular weight of 273.33 g/mol, XLogP of -0.98, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-6-[(2-morpholin-4-ylacetyl)amino]hexanoic acid is sourced from PubChem (CID 157029162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).