5-amino-5-[carbamimidoyl(methyl)amino]pentanoic acid

C7H16N4O2 — CID 174812076

IUPAC5-amino-5-[carbamimidoyl(methyl)amino]pentanoic acid
SMILES[H]/N=C(\N)N(C)C(N)CCCC(=O)O
InChIInChI=1S/C7H16N4O2/c1-11(7(9)10)5(8)3-2-4-6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)
InChIKeyZGZXDICRLXBJHL-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.65
Rot. Bonds5

About 5-amino-5-[carbamimidoyl(methyl)amino]pentanoic acid

5-amino-5-[carbamimidoyl(methyl)amino]pentanoic acid (PubChem CID 174812076) has the molecular formula C7H16N4O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-amino-5-[carbamimidoyl(methyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-amino-5-[carbamimidoyl(methyl)amino]pentanoic acid
PubChem CID174812076
Molecular FormulaC7H16N4O2
Molecular Weight188.23 g/mol
Exact Mass188.13
IUPAC Name5-amino-5-[carbamimidoyl(methyl)amino]pentanoic acid
SMILES[H]/N=C(\N)N(C)C(N)CCCC(=O)O
InChIInChI=1S/C7H16N4O2/c1-11(7(9)10)5(8)3-2-4-6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13)
InChIKeyZGZXDICRLXBJHL-UHFFFAOYSA-N
XLogP-0.65
TPSA116.43 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-aminopentanedioic acid;2-[carbamimidoyl(methyl)amino]acetic acid
CID 87803382
6,8-bis(sulfanyl)octanoic acid;2-[carbamimidoyl(methyl)amino]acetic acid
CID 10236840
(5R)-5-amino-5-phosphanylpentanoic acid
CID 174654191
2-[carbamimidoyl(methyl)amino]acetic acid;chromium
CID 174525318
2-[carbamimidoyl(methyl)amino]acetic acid;carbonic acid
CID 87214776
2-carbamimidoyl-1,1-dimethylguanidine;hexanedioic acid
CID 176517740
2-[carbamimidoyl(methyl)amino]-3,3,3-trideuteriopropanoic acid
CID 176514595
8-amino-8-iminooctanoic acid
CID 139654610
2-[carbamimidoyl(methyl)amino]but-3-enoic acid
CID 175022605
2-[carbamimidoyl(methyl)amino]-2-sulfoacetic acid
CID 140979869
6-amino-6-[bis(carboxymethyl)amino]hexanoic acid
CID 87997532
potassium;2-[carbamimidoyl(methyl)amino]acetic acid;hydride
CID 173111942

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-[carbamimidoyl(methyl)amino]pentanoic acid?
The IUPAC name of 5-amino-5-[carbamimidoyl(methyl)amino]pentanoic acid (CID 174812076) is 5-amino-5-[carbamimidoyl(methyl)amino]pentanoic acid.
What is the SMILES notation for 5-amino-5-[carbamimidoyl(methyl)amino]pentanoic acid?
The canonical SMILES for 5-amino-5-[carbamimidoyl(methyl)amino]pentanoic acid is [H]/N=C(\N)N(C)C(N)CCCC(=O)O.
What is the InChIKey of 5-amino-5-[carbamimidoyl(methyl)amino]pentanoic acid?
The InChIKey is ZGZXDICRLXBJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2/c1-11(7(9)10)5(8)3-2-4-6(12)13/h5H,2-4,8H2,1H3,(H3,9,10)(H,12,13).
What are the key properties of 5-amino-5-[carbamimidoyl(methyl)amino]pentanoic acid?
5-amino-5-[carbamimidoyl(methyl)amino]pentanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.65, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-[carbamimidoyl(methyl)amino]pentanoic acid is sourced from PubChem (CID 174812076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).