(2S)-6-amino-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]hexanoic acid

C11H22N4O4 — CID 14299171

IUPAC(2S)-6-amino-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]hexanoic acid
SMILESC[C@H](N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C11H22N4O4/c1-7(13)10(17)14-6-9(16)15-8(11(18)19)4-2-3-5-12/h7-8H,2-6,12-13H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t7-,8-/m0/s1
InChIKeyBLIMFWGRQKRCGT-YUMQZZPRSA-N
MW274.32 g/mol
LogP-1.85
Rot. Bonds9

About (2S)-6-amino-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]hexanoic acid

(2S)-6-amino-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]hexanoic acid (PubChem CID 14299171) has the molecular formula C11H22N4O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2S)-6-amino-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]hexanoic acid
PubChem CID14299171
Molecular FormulaC11H22N4O4
Molecular Weight274.32 g/mol
Exact Mass274.16
IUPAC Name(2S)-6-amino-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]hexanoic acid
SMILESC[C@H](N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C11H22N4O4/c1-7(13)10(17)14-6-9(16)15-8(11(18)19)4-2-3-5-12/h7-8H,2-6,12-13H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t7-,8-/m0/s1
InChIKeyBLIMFWGRQKRCGT-YUMQZZPRSA-N
XLogP-1.85
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-1.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]amino]acetyl]amino]pentanedioic acid
CID 11582164
2-[[6-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]hexanoyl]amino]-4-methylpentanoic acid
CID 18235591
(2S)-6-amino-2-[[2-[[(2S)-6-amino-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]hexanoic acid
CID 134826235
(2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid
CID 175695979
(2S)-6-amino-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]hexanoic acid
CID 175761703
6-amino-2-[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]propanoylamino]hexanoic acid
CID 18747903
(2S)-2-[[2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetyl]amino]-6-aminohexanoic acid
CID 88862190
2-[[2-(2-aminopropanoylamino)acetyl]amino]butanedioic acid
CID 18218381
6-amino-2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylbutanoyl]amino]acetyl]amino]hexanoic acid
CID 18744848
2-[[2-[[6-amino-2-(2-aminopropanoylamino)hexanoyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 18237093
6-amino-2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoic acid
CID 18488436
(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]pentanedioic acid
CID 145453586

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]hexanoic acid?
The IUPAC name of (2S)-6-amino-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]hexanoic acid (CID 14299171) is (2S)-6-amino-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]hexanoic acid is C[C@H](N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]hexanoic acid?
The InChIKey is BLIMFWGRQKRCGT-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H22N4O4/c1-7(13)10(17)14-6-9(16)15-8(11(18)19)4-2-3-5-12/h7-8H,2-6,12-13H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t7-,8-/m0/s1.
What are the key properties of (2S)-6-amino-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]hexanoic acid?
(2S)-6-amino-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]hexanoic acid has a molecular weight of 274.32 g/mol, XLogP of -1.85, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]hexanoic acid is sourced from PubChem (CID 14299171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).