(2S)-2-amino-5-[bis(pyrimidin-2-ylmethyl)amino]pentanoic acid

C15H20N6O2 — CID 67330690

IUPAC(2S)-2-amino-5-[bis(pyrimidin-2-ylmethyl)amino]pentanoic acid
SMILESN[C@@H](CCCN(Cc1ncccn1)Cc1ncccn1)C(=O)O
InChIInChI=1S/C15H20N6O2/c16-12(15(22)23)4-1-9-21(10-13-17-5-2-6-18-13)11-14-19-7-3-8-20-14/h2-3,5-8,12H,1,4,9-11,16H2,(H,22,23)/t12-/m0/s1
InChIKeyDRJCLICRXKOQFT-LBPRGKRZSA-N
MW316.36 g/mol
LogP0.46
Rot. Bonds9

About (2S)-2-amino-5-[bis(pyrimidin-2-ylmethyl)amino]pentanoic acid

(2S)-2-amino-5-[bis(pyrimidin-2-ylmethyl)amino]pentanoic acid (PubChem CID 67330690) has the molecular formula C15H20N6O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2S)-2-amino-5-[bis(pyrimidin-2-ylmethyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[bis(pyrimidin-2-ylmethyl)amino]pentanoic acid
PubChem CID67330690
Molecular FormulaC15H20N6O2
Molecular Weight316.36 g/mol
Exact Mass316.16
IUPAC Name(2S)-2-amino-5-[bis(pyrimidin-2-ylmethyl)amino]pentanoic acid
SMILESN[C@@H](CCCN(Cc1ncccn1)Cc1ncccn1)C(=O)O
InChIInChI=1S/C15H20N6O2/c16-12(15(22)23)4-1-9-21(10-13-17-5-2-6-18-13)11-14-19-7-3-8-20-14/h2-3,5-8,12H,1,4,9-11,16H2,(H,22,23)/t12-/m0/s1
InChIKeyDRJCLICRXKOQFT-LBPRGKRZSA-N
XLogP0.46
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[bis(pyrimidin-2-ylmethyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-amino-5-[bis(pyrimidin-2-ylmethyl)amino]pentanoic acid (CID 67330690) is (2S)-2-amino-5-[bis(pyrimidin-2-ylmethyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[bis(pyrimidin-2-ylmethyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[bis(pyrimidin-2-ylmethyl)amino]pentanoic acid is N[C@@H](CCCN(Cc1ncccn1)Cc1ncccn1)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-[bis(pyrimidin-2-ylmethyl)amino]pentanoic acid?
The InChIKey is DRJCLICRXKOQFT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N6O2/c16-12(15(22)23)4-1-9-21(10-13-17-5-2-6-18-13)11-14-19-7-3-8-20-14/h2-3,5-8,12H,1,4,9-11,16H2,(H,22,23)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-5-[bis(pyrimidin-2-ylmethyl)amino]pentanoic acid?
(2S)-2-amino-5-[bis(pyrimidin-2-ylmethyl)amino]pentanoic acid has a molecular weight of 316.36 g/mol, XLogP of 0.46, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[bis(pyrimidin-2-ylmethyl)amino]pentanoic acid is sourced from PubChem (CID 67330690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).