(2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid

About (2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 175696810) has the molecular formula C20H34N6O6 and a molecular weight of 454.53 g/mol. Its IUPAC name is (2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name	(2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID	175696810
Molecular Formula	C20H34N6O6
Molecular Weight	454.53 g/mol
Exact Mass	454.25
IUPAC Name	(2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
SMILES	NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O
InChI	InChI=1S/C20H34N6O6/c21-8-2-1-5-13(24-19(30)14-6-3-9-25(14)16(27)11-22)18(29)23-12-17(28)26-10-4-7-15(26)20(31)32/h13-15H,1-12,21-22H2,(H,23,29)(H,24,30)(H,31,32)/t13-,14-,15-/m0/s1
InChIKey	UGSTZDTXXMIWQQ-KKUMJFAQSA-N
XLogP	-2.26
TPSA	188.16 Å²
H-Bond Donors	5
H-Bond Acceptors	7
Rotatable Bonds	11
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.53
LogP ≤ 5	-2.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid?

The IUPAC name of (2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid (CID 175696810) is (2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid.

What is the SMILES notation for (2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid?

The canonical SMILES for (2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid is NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O.

What is the InChIKey of (2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid?

The InChIKey is UGSTZDTXXMIWQQ-KKUMJFAQSA-N. The full InChI is InChI=1S/C20H34N6O6/c21-8-2-1-5-13(24-19(30)14-6-3-9-25(14)16(27)11-22)18(29)23-12-17(28)26-10-4-7-15(26)20(31)32/h13-15H,1-12,21-22H2,(H,23,29)(H,24,30)(H,31,32)/t13-,14-,15-/m0/s1.

What are the key properties of (2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid?

(2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 454.53 g/mol, XLogP of -2.26, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 175696810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).