Arg-Gly

C8H17N5O3 — CID 142765

IUPAC2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid
SMILESC(C[C@@H](C(=O)NCC(=O)O)N)CN=C(N)N
InChIInChI=1S/C8H17N5O3/c9-5(2-1-3-12-8(10)11)7(16)13-4-6(14)15/h5H,1-4,9H2,(H,13,16)(H,14,15)(H4,10,11,12)/t5-/m0/s1
InChIKeyXUUXCWCKKCZEAW-YFKPBYRVSA-N
MW231.25 g/mol
LogP-4.90
Rot. Bonds7

About Arg-Gly

Arg-Gly (PubChem CID 142765) has the molecular formula C8H17N5O3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid.

Molecular Properties

Compound NameArg-Gly
PubChem CID142765
Molecular FormulaC8H17N5O3
Molecular Weight231.25 g/mol
Exact Mass231.13
IUPAC Name2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid
SMILESC(C[C@@H](C(=O)NCC(=O)O)N)CN=C(N)N
InChIInChI=1S/C8H17N5O3/c9-5(2-1-3-12-8(10)11)7(16)13-4-6(14)15/h5H,1-4,9H2,(H,13,16)(H,14,15)(H4,10,11,12)/t5-/m0/s1
InChIKeyXUUXCWCKKCZEAW-YFKPBYRVSA-N
XLogP-4.90
TPSA157.00 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity275

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-4.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-Acetyl-L-arginine
CID 67427
Arginine-glycine-aspartic acid
CID 104802
Val-Arg
CID 444523
Nona-arginine
CID 25077438
Arg-Pro
CID 151003
Arg-Val
CID 6992654
Lys-Gly
CID 7022320
Arg-Asp
CID 7009612
Arginylalanine
CID 7020333
Arg-Leu
CID 6992563
Arg-Ile
CID 7009553
Asn-Arg
CID 14299174

Frequently Asked Questions

What is the IUPAC name of Arg-Gly?
The IUPAC name of Arg-Gly (CID 142765) is 2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid.
What is the SMILES notation for Arg-Gly?
The canonical SMILES for Arg-Gly is C(C[C@@H](C(=O)NCC(=O)O)N)CN=C(N)N.
What is the InChIKey of Arg-Gly?
The InChIKey is XUUXCWCKKCZEAW-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H17N5O3/c9-5(2-1-3-12-8(10)11)7(16)13-4-6(14)15/h5H,1-4,9H2,(H,13,16)(H,14,15)(H4,10,11,12)/t5-/m0/s1.
What are the key properties of Arg-Gly?
Arg-Gly has a molecular weight of 231.25 g/mol, XLogP of -4.90, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Arg-Gly is sourced from PubChem (CID 142765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).