(2R)-2-amino-3-[bis(2-aminoethyl)amino]propanoic acid

C7H18N4O2 — CID 58210404

IUPAC(2R)-2-amino-3-[bis(2-aminoethyl)amino]propanoic acid
SMILESNCCN(CCN)C[C@@H](N)C(=O)O
InChIInChI=1S/C7H18N4O2/c8-1-3-11(4-2-9)5-6(10)7(12)13/h6H,1-5,8-10H2,(H,12,13)/t6-/m1/s1
InChIKeyCGAJQIHEUZFZDU-ZCFIWIBFSA-N
MW190.25 g/mol
LogP-2.38
Rot. Bonds7

About (2R)-2-amino-3-[bis(2-aminoethyl)amino]propanoic acid

(2R)-2-amino-3-[bis(2-aminoethyl)amino]propanoic acid (PubChem CID 58210404) has the molecular formula C7H18N4O2 and a molecular weight of 190.25 g/mol. Its IUPAC name is (2R)-2-amino-3-[bis(2-aminoethyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[bis(2-aminoethyl)amino]propanoic acid
PubChem CID58210404
Molecular FormulaC7H18N4O2
Molecular Weight190.25 g/mol
Exact Mass190.14
IUPAC Name(2R)-2-amino-3-[bis(2-aminoethyl)amino]propanoic acid
SMILESNCCN(CCN)C[C@@H](N)C(=O)O
InChIInChI=1S/C7H18N4O2/c8-1-3-11(4-2-9)5-6(10)7(12)13/h6H,1-5,8-10H2,(H,12,13)/t6-/m1/s1
InChIKeyCGAJQIHEUZFZDU-ZCFIWIBFSA-N
XLogP-2.38
TPSA118.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 5-2.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[bis(2-aminoethyl)amino]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[bis(2-aminoethyl)amino]propanoic acid (CID 58210404) is (2R)-2-amino-3-[bis(2-aminoethyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[bis(2-aminoethyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[bis(2-aminoethyl)amino]propanoic acid is NCCN(CCN)C[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[bis(2-aminoethyl)amino]propanoic acid?
The InChIKey is CGAJQIHEUZFZDU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H18N4O2/c8-1-3-11(4-2-9)5-6(10)7(12)13/h6H,1-5,8-10H2,(H,12,13)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-3-[bis(2-aminoethyl)amino]propanoic acid?
(2R)-2-amino-3-[bis(2-aminoethyl)amino]propanoic acid has a molecular weight of 190.25 g/mol, XLogP of -2.38, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[bis(2-aminoethyl)amino]propanoic acid is sourced from PubChem (CID 58210404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).