2-[[2-[[2-[[2-[(2-aminoacetyl)-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetyl]-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetic acid

C26H45N5O6 — CID 25184630

IUPAC2-[[2-[[2-[[2-[(2-aminoacetyl)-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetyl]-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetic acid
SMILESC[C@@H](C1CCCCC1)N(CC(=O)NCC(=O)N(CC(=O)NCC(=O)O)[C@@H](C)C1CCCCC1)C(=O)CN
InChIInChI=1S/C26H45N5O6/c1-18(20-9-5-3-6-10-20)30(24(34)13-27)16-22(32)28-14-25(35)31(17-23(33)29-15-26(36)37)19(2)21-11-7-4-8-12-21/h18-21H,3-17,27H2,1-2H3,(H,28,32)(H,29,33)(H,36,37)/t18-,19-/m0/s1
InChIKeyKAQCRMGUBSUIKS-OALUTQOASA-N
MW523.68 g/mol
LogP0.86
Rot. Bonds13

About 2-[[2-[[2-[[2-[(2-aminoacetyl)-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetyl]-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetic acid

2-[[2-[[2-[[2-[(2-aminoacetyl)-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetyl]-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetic acid (PubChem CID 25184630) has the molecular formula C26H45N5O6 and a molecular weight of 523.68 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-[(2-aminoacetyl)-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetyl]-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-[[2-[(2-aminoacetyl)-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetyl]-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetic acid
PubChem CID25184630
Molecular FormulaC26H45N5O6
Molecular Weight523.68 g/mol
Exact Mass523.34
IUPAC Name2-[[2-[[2-[[2-[(2-aminoacetyl)-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetyl]-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetic acid
SMILESC[C@@H](C1CCCCC1)N(CC(=O)NCC(=O)N(CC(=O)NCC(=O)O)[C@@H](C)C1CCCCC1)C(=O)CN
InChIInChI=1S/C26H45N5O6/c1-18(20-9-5-3-6-10-20)30(24(34)13-27)16-22(32)28-14-25(35)31(17-23(33)29-15-26(36)37)19(2)21-11-7-4-8-12-21/h18-21H,3-17,27H2,1-2H3,(H,28,32)(H,29,33)(H,36,37)/t18-,19-/m0/s1
InChIKeyKAQCRMGUBSUIKS-OALUTQOASA-N
XLogP0.86
TPSA162.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.68
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[[2-[[2-[(2-aminoacetyl)-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetyl]-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[[2-[(2-aminoacetyl)-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetyl]-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-[[2-[(2-aminoacetyl)-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetyl]-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetic acid (CID 25184630) is 2-[[2-[[2-[[2-[(2-aminoacetyl)-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetyl]-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-[[2-[(2-aminoacetyl)-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetyl]-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-[[2-[(2-aminoacetyl)-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetyl]-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetic acid is C[C@@H](C1CCCCC1)N(CC(=O)NCC(=O)N(CC(=O)NCC(=O)O)[C@@H](C)C1CCCCC1)C(=O)CN.
What is the InChIKey of 2-[[2-[[2-[[2-[(2-aminoacetyl)-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetyl]-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetic acid?
The InChIKey is KAQCRMGUBSUIKS-OALUTQOASA-N. The full InChI is InChI=1S/C26H45N5O6/c1-18(20-9-5-3-6-10-20)30(24(34)13-27)16-22(32)28-14-25(35)31(17-23(33)29-15-26(36)37)19(2)21-11-7-4-8-12-21/h18-21H,3-17,27H2,1-2H3,(H,28,32)(H,29,33)(H,36,37)/t18-,19-/m0/s1.
What are the key properties of 2-[[2-[[2-[[2-[(2-aminoacetyl)-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetyl]-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-[[2-[(2-aminoacetyl)-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetyl]-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetic acid has a molecular weight of 523.68 g/mol, XLogP of 0.86, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[[2-[(2-aminoacetyl)-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetyl]-[(1S)-1-cyclohexylethyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 25184630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).