2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid

C10H20N6O4 — CID 7020045

IUPAC2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid
SMILESNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O
InChIInChI=1S/C10H20N6O4/c11-4-7(17)16-6(2-1-3-14-10(12)13)9(20)15-5-8(18)19/h6H,1-5,11H2,(H,15,20)(H,16,17)(H,18,19)(H4,12,13,14)/t6-/m0/s1
InChIKeyRJIVPOXLQFJRTG-LURJTMIESA-N
MW288.31 g/mol
LogP-3.32
Rot. Bonds9

About 2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid

2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid (PubChem CID 7020045) has the molecular formula C10H20N6O4 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid
PubChem CID7020045
Molecular FormulaC10H20N6O4
Molecular Weight288.31 g/mol
Exact Mass288.15
IUPAC Name2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid
SMILESNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O
InChIInChI=1S/C10H20N6O4/c11-4-7(17)16-6(2-1-3-14-10(12)13)9(20)15-5-8(18)19/h6H,1-5,11H2,(H,15,20)(H,16,17)(H,18,19)(H4,12,13,14)/t6-/m0/s1
InChIKeyRJIVPOXLQFJRTG-LURJTMIESA-N
XLogP-3.32
TPSA185.92 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.31
LogP ≤ 5-3.32
H-Bond Donors ≤ 56
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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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid (CID 7020045) is 2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid is NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid?
The InChIKey is RJIVPOXLQFJRTG-LURJTMIESA-N. The full InChI is InChI=1S/C10H20N6O4/c11-4-7(17)16-6(2-1-3-14-10(12)13)9(20)15-5-8(18)19/h6H,1-5,11H2,(H,15,20)(H,16,17)(H,18,19)(H4,12,13,14)/t6-/m0/s1.
What are the key properties of 2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid?
2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid has a molecular weight of 288.31 g/mol, XLogP of -3.32, 9 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid is sourced from PubChem (CID 7020045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).