2-[bis(2-amino-2-oxoethyl)amino]pentanoic acid

C9H17N3O4 — CID 83041188

IUPAC2-[bis(2-amino-2-oxoethyl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C9H17N3O4/c1-2-3-6(9(15)16)12(4-7(10)13)5-8(11)14/h6H,2-5H2,1H3,(H2,10,13)(H2,11,14)(H,15,16)
InChIKeyARGVFJOLQWQVAZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP-1.49
Rot. Bonds8

About 2-[bis(2-amino-2-oxoethyl)amino]pentanoic acid

2-[bis(2-amino-2-oxoethyl)amino]pentanoic acid (PubChem CID 83041188) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[bis(2-amino-2-oxoethyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[bis(2-amino-2-oxoethyl)amino]pentanoic acid
PubChem CID83041188
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name2-[bis(2-amino-2-oxoethyl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C9H17N3O4/c1-2-3-6(9(15)16)12(4-7(10)13)5-8(11)14/h6H,2-5H2,1H3,(H2,10,13)(H2,11,14)(H,15,16)
InChIKeyARGVFJOLQWQVAZ-UHFFFAOYSA-N
XLogP-1.49
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(diethylamino)pentanoic acid
CID 30030442
ethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate
CID 103102891
2-[2-carboxyethyl(2-oxopropyl)amino]pentanoic acid
CID 82329130
2-(didecylamino)pentanoic acid
CID 101314079
2-[di(tridecyl)amino]pentanoic acid
CID 101314139
2,5-bis(diethylamino)hexanedioic acid
CID 175154471
2-[2-carboxypropyl(2-methylpropyl)amino]pentanoic acid
CID 82329020
CID 175857713
CID 175857713
(2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid
CID 150171158
2-[cyclopropylmethyl(ethyl)amino]pentanoic acid
CID 83040578
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid
CID 107480763
(2S)-2-[bis(carboxymethyl)amino]butanoic acid
CID 18664115

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-amino-2-oxoethyl)amino]pentanoic acid?
The IUPAC name of 2-[bis(2-amino-2-oxoethyl)amino]pentanoic acid (CID 83041188) is 2-[bis(2-amino-2-oxoethyl)amino]pentanoic acid.
What is the SMILES notation for 2-[bis(2-amino-2-oxoethyl)amino]pentanoic acid?
The canonical SMILES for 2-[bis(2-amino-2-oxoethyl)amino]pentanoic acid is CCCC(C(=O)O)N(CC(N)=O)CC(N)=O.
What is the InChIKey of 2-[bis(2-amino-2-oxoethyl)amino]pentanoic acid?
The InChIKey is ARGVFJOLQWQVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-2-3-6(9(15)16)12(4-7(10)13)5-8(11)14/h6H,2-5H2,1H3,(H2,10,13)(H2,11,14)(H,15,16).
What are the key properties of 2-[bis(2-amino-2-oxoethyl)amino]pentanoic acid?
2-[bis(2-amino-2-oxoethyl)amino]pentanoic acid has a molecular weight of 231.25 g/mol, XLogP of -1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-amino-2-oxoethyl)amino]pentanoic acid is sourced from PubChem (CID 83041188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).