(2R)-2-[[1-(2-acetamidoacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]-6-aminohexanoic acid

C15H26N4O6 — CID 118726904

IUPAC(2R)-2-[[1-(2-acetamidoacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]-6-aminohexanoic acid
SMILESCC(=O)NCC(=O)N1CC(O)CC1C(=O)N[C@H](CCCCN)C(=O)O
InChIInChI=1S/C15H26N4O6/c1-9(20)17-7-13(22)19-8-10(21)6-12(19)14(23)18-11(15(24)25)4-2-3-5-16/h10-12,21H,2-8,16H2,1H3,(H,17,20)(H,18,23)(H,24,25)/t10?,11-,12?/m1/s1
InChIKeyLRTNFKAVFVWEGF-MOENNCHZSA-N
MW358.40 g/mol
LogP-2.22
Rot. Bonds9

About (2R)-2-[[1-(2-acetamidoacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]-6-aminohexanoic acid

(2R)-2-[[1-(2-acetamidoacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]-6-aminohexanoic acid (PubChem CID 118726904) has the molecular formula C15H26N4O6 and a molecular weight of 358.40 g/mol. Its IUPAC name is (2R)-2-[[1-(2-acetamidoacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]-6-aminohexanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(2-acetamidoacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]-6-aminohexanoic acid
PubChem CID118726904
Molecular FormulaC15H26N4O6
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC Name(2R)-2-[[1-(2-acetamidoacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]-6-aminohexanoic acid
SMILESCC(=O)NCC(=O)N1CC(O)CC1C(=O)N[C@H](CCCCN)C(=O)O
InChIInChI=1S/C15H26N4O6/c1-9(20)17-7-13(22)19-8-10(21)6-12(19)14(23)18-11(15(24)25)4-2-3-5-16/h10-12,21H,2-8,16H2,1H3,(H,17,20)(H,18,23)(H,24,25)/t10?,11-,12?/m1/s1
InChIKeyLRTNFKAVFVWEGF-MOENNCHZSA-N
XLogP-2.22
TPSA162.06 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 5-2.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(2-acetamidoacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]-6-aminohexanoic acid?
The IUPAC name of (2R)-2-[[1-(2-acetamidoacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]-6-aminohexanoic acid (CID 118726904) is (2R)-2-[[1-(2-acetamidoacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]-6-aminohexanoic acid.
What is the SMILES notation for (2R)-2-[[1-(2-acetamidoacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]-6-aminohexanoic acid?
The canonical SMILES for (2R)-2-[[1-(2-acetamidoacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]-6-aminohexanoic acid is CC(=O)NCC(=O)N1CC(O)CC1C(=O)N[C@H](CCCCN)C(=O)O.
What is the InChIKey of (2R)-2-[[1-(2-acetamidoacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]-6-aminohexanoic acid?
The InChIKey is LRTNFKAVFVWEGF-MOENNCHZSA-N. The full InChI is InChI=1S/C15H26N4O6/c1-9(20)17-7-13(22)19-8-10(21)6-12(19)14(23)18-11(15(24)25)4-2-3-5-16/h10-12,21H,2-8,16H2,1H3,(H,17,20)(H,18,23)(H,24,25)/t10?,11-,12?/m1/s1.
What are the key properties of (2R)-2-[[1-(2-acetamidoacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]-6-aminohexanoic acid?
(2R)-2-[[1-(2-acetamidoacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]-6-aminohexanoic acid has a molecular weight of 358.40 g/mol, XLogP of -2.22, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(2-acetamidoacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]-6-aminohexanoic acid is sourced from PubChem (CID 118726904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).