(2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid

C10H14N6O2 — CID 15518562

IUPAC(2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid
SMILESNc1ncnc2c1ncn2CCC[C@H](N)C(=O)O
InChIInChI=1S/C10H14N6O2/c11-6(10(17)18)2-1-3-16-5-15-7-8(12)13-4-14-9(7)16/h4-6H,1-3,11H2,(H,17,18)(H2,12,13,14)/t6-/m0/s1
InChIKeySEGLQDHIEXCIKN-LURJTMIESA-N
MW250.26 g/mol
LogP-0.40
Rot. Bonds5

About (2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid

(2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid (PubChem CID 15518562) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is (2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid
PubChem CID15518562
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name(2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid
SMILESNc1ncnc2c1ncn2CCC[C@H](N)C(=O)O
InChIInChI=1S/C10H14N6O2/c11-6(10(17)18)2-1-3-16-5-15-7-8(12)13-4-14-9(7)16/h4-6H,1-3,11H2,(H,17,18)(H2,12,13,14)/t6-/m0/s1
InChIKeySEGLQDHIEXCIKN-LURJTMIESA-N
XLogP-0.40
TPSA132.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-acetyloxy-4-(6-aminopurin-9-yl)butanoic acid
CID 163729575
9-nonylpurin-6-amine
CID 3816519
9-(10-bromodecyl)purin-6-amine
CID 10831944
3-(6-aminopurin-9-yl)propane-1-sulfonic acid
CID 14056435
4-(6-aminopurin-9-yl)-N-methylbutanamide
CID 63891255
9-[5-[5-(6-aminopurin-9-yl)pentyldisulfanyl]pentyl]purin-6-amine
CID 102169719
2-amino-5-[2-[(6-aminopurin-9-yl)methyl]-3,5-dichlorophenoxy]pentanoic acid
CID 175291408
(2R)-2-amino-5-[2-[(6-aminopurin-9-yl)methyl]-3,4-dichlorophenoxy]pentanoic acid
CID 164575180
[3-(6-aminopurin-9-yl)propyl-dimethylsilyl]methanol
CID 10061415
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
N-[3-(6-aminopurin-9-yl)propyl]-2-methylprop-2-enamide
CID 137499406
(2R)-2-amino-3-[2-[(6-aminopurin-9-yl)methoxy]ethylsulfanyl]propanoic acid
CID 102020867

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid?
The IUPAC name of (2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid (CID 15518562) is (2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid is Nc1ncnc2c1ncn2CCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid?
The InChIKey is SEGLQDHIEXCIKN-LURJTMIESA-N. The full InChI is InChI=1S/C10H14N6O2/c11-6(10(17)18)2-1-3-16-5-15-7-8(12)13-4-14-9(7)16/h4-6H,1-3,11H2,(H,17,18)(H2,12,13,14)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid?
(2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid has a molecular weight of 250.26 g/mol, XLogP of -0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid is sourced from PubChem (CID 15518562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).