2-amino-4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoic acid

C7H14N4O2 — CID 66601966

IUPAC2-amino-4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoic acid
SMILESNC(CCNC1=NCCN1)C(=O)O
InChIInChI=1S/C7H14N4O2/c8-5(6(12)13)1-2-9-7-10-3-4-11-7/h5H,1-4,8H2,(H,12,13)(H2,9,10,11)
InChIKeyNAOWEQCJZMASGS-UHFFFAOYSA-N
MW186.22 g/mol
LogP-1.66
Rot. Bonds4

About 2-amino-4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoic acid

2-amino-4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoic acid (PubChem CID 66601966) has the molecular formula C7H14N4O2 and a molecular weight of 186.22 g/mol. Its IUPAC name is 2-amino-4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoic acid
PubChem CID66601966
Molecular FormulaC7H14N4O2
Molecular Weight186.22 g/mol
Exact Mass186.11
IUPAC Name2-amino-4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoic acid
SMILESNC(CCNC1=NCCN1)C(=O)O
InChIInChI=1S/C7H14N4O2/c8-5(6(12)13)1-2-9-7-10-3-4-11-7/h5H,1-4,8H2,(H,12,13)(H2,9,10,11)
InChIKeyNAOWEQCJZMASGS-UHFFFAOYSA-N
XLogP-1.66
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoic acid?
The IUPAC name of 2-amino-4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoic acid (CID 66601966) is 2-amino-4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoic acid is NC(CCNC1=NCCN1)C(=O)O.
What is the InChIKey of 2-amino-4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoic acid?
The InChIKey is NAOWEQCJZMASGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c8-5(6(12)13)1-2-9-7-10-3-4-11-7/h5H,1-4,8H2,(H,12,13)(H2,9,10,11).
What are the key properties of 2-amino-4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoic acid?
2-amino-4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoic acid has a molecular weight of 186.22 g/mol, XLogP of -1.66, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoic acid is sourced from PubChem (CID 66601966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).