2-amino-6-[[(4R)-4-amino-5-oxo-5-undecoxypentanoyl]amino]heptanedioic acid

C23H43N3O7 — CID 51350012

IUPAC2-amino-6-[[(4R)-4-amino-5-oxo-5-undecoxypentanoyl]amino]heptanedioic acid
SMILESCCCCCCCCCCCOC(=O)[C@H](N)CCC(=O)NC(CCCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C23H43N3O7/c1-2-3-4-5-6-7-8-9-10-16-33-23(32)18(25)14-15-20(27)26-19(22(30)31)13-11-12-17(24)21(28)29/h17-19H,2-16,24-25H2,1H3,(H,26,27)(H,28,29)(H,30,31)/t17?,18-,19?/m1/s1
InChIKeyKSBNSYZKRQFING-JLAWEPINSA-N
MW473.61 g/mol
LogP2.32
Rot. Bonds21

About 2-amino-6-[[(4R)-4-amino-5-oxo-5-undecoxypentanoyl]amino]heptanedioic acid

2-amino-6-[[(4R)-4-amino-5-oxo-5-undecoxypentanoyl]amino]heptanedioic acid (PubChem CID 51350012) has the molecular formula C23H43N3O7 and a molecular weight of 473.61 g/mol. Its IUPAC name is 2-amino-6-[[(4R)-4-amino-5-oxo-5-undecoxypentanoyl]amino]heptanedioic acid.

Molecular Properties

Compound Name2-amino-6-[[(4R)-4-amino-5-oxo-5-undecoxypentanoyl]amino]heptanedioic acid
PubChem CID51350012
Molecular FormulaC23H43N3O7
Molecular Weight473.61 g/mol
Exact Mass473.31
IUPAC Name2-amino-6-[[(4R)-4-amino-5-oxo-5-undecoxypentanoyl]amino]heptanedioic acid
SMILESCCCCCCCCCCCOC(=O)[C@H](N)CCC(=O)NC(CCCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C23H43N3O7/c1-2-3-4-5-6-7-8-9-10-16-33-23(32)18(25)14-15-20(27)26-19(22(30)31)13-11-12-17(24)21(28)29/h17-19H,2-16,24-25H2,1H3,(H,26,27)(H,28,29)(H,30,31)/t17?,18-,19?/m1/s1
InChIKeyKSBNSYZKRQFING-JLAWEPINSA-N
XLogP2.32
TPSA182.04 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.61
LogP ≤ 52.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-amino-6-[[(4R)-4-amino-5-oxo-5-undecoxypentanoyl]amino]heptanedioic acid with MolForge

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Related Compounds

L-Ala-Gamma-D-Glu-Meso-Diaminopimelic Acid
CID 25203562
FK 565
CID 115204
Lauryl PCA
CID 173414
Cetyl PCA
CID 18654323
Palmitoyl myristyl serinate
CID 54485594
N-Palmitoyl glutamine
CID 52922071
(R)-2-Amino-6-((R)-4-carboxy-4-dodecanamidobutanamido)hexanoic Acid
CID 51349609
(S)-6-Amino-2-((R)-4-carboxy-4-dodecanamidobutanamido)hexanoic Acid
CID 51349747
(S)-2-Amino-6-((R)-4-carboxy-4-dodecanamidobutanamido)hexanoic Acid
CID 51349749
2-Amino-6-((R)-4-carboxy-4-(dioctylamino)butanamido)heptanedioic Acid
CID 51349877
2-Amino-6-((R)-4-carboxy-4-(didodecylamino)butanamido)heptanedioic Acid
CID 51349879
2-Amino-6-((R)-4-carboxy-4-(dihexadecylamino)butanamido)heptanedioic Acid
CID 51349881

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[(4R)-4-amino-5-oxo-5-undecoxypentanoyl]amino]heptanedioic acid?
The IUPAC name of 2-amino-6-[[(4R)-4-amino-5-oxo-5-undecoxypentanoyl]amino]heptanedioic acid (CID 51350012) is 2-amino-6-[[(4R)-4-amino-5-oxo-5-undecoxypentanoyl]amino]heptanedioic acid.
What is the SMILES notation for 2-amino-6-[[(4R)-4-amino-5-oxo-5-undecoxypentanoyl]amino]heptanedioic acid?
The canonical SMILES for 2-amino-6-[[(4R)-4-amino-5-oxo-5-undecoxypentanoyl]amino]heptanedioic acid is CCCCCCCCCCCOC(=O)[C@H](N)CCC(=O)NC(CCCC(N)C(=O)O)C(=O)O.
What is the InChIKey of 2-amino-6-[[(4R)-4-amino-5-oxo-5-undecoxypentanoyl]amino]heptanedioic acid?
The InChIKey is KSBNSYZKRQFING-JLAWEPINSA-N. The full InChI is InChI=1S/C23H43N3O7/c1-2-3-4-5-6-7-8-9-10-16-33-23(32)18(25)14-15-20(27)26-19(22(30)31)13-11-12-17(24)21(28)29/h17-19H,2-16,24-25H2,1H3,(H,26,27)(H,28,29)(H,30,31)/t17?,18-,19?/m1/s1.
What are the key properties of 2-amino-6-[[(4R)-4-amino-5-oxo-5-undecoxypentanoyl]amino]heptanedioic acid?
2-amino-6-[[(4R)-4-amino-5-oxo-5-undecoxypentanoyl]amino]heptanedioic acid has a molecular weight of 473.61 g/mol, XLogP of 2.32, 21 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[[(4R)-4-amino-5-oxo-5-undecoxypentanoyl]amino]heptanedioic acid is sourced from PubChem (CID 51350012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).