(2S)-2,5-diamino-5-(2,5-dihydro-1H-imidazol-2-yl)pentanoic acid

C8H16N4O2 — CID 22981986

IUPAC(2S)-2,5-diamino-5-(2,5-dihydro-1H-imidazol-2-yl)pentanoic acid
SMILESNC(CC[C@H](N)C(=O)O)C1N=CCN1
InChIInChI=1S/C8H16N4O2/c9-5(7-11-3-4-12-7)1-2-6(10)8(13)14/h3,5-7,12H,1-2,4,9-10H2,(H,13,14)/t5?,6-,7?/m0/s1
InChIKeyMKIHQWRHBUQVFV-HUDPQJTASA-N
MW200.24 g/mol
LogP-1.49
Rot. Bonds5

About (2S)-2,5-diamino-5-(2,5-dihydro-1H-imidazol-2-yl)pentanoic acid

(2S)-2,5-diamino-5-(2,5-dihydro-1H-imidazol-2-yl)pentanoic acid (PubChem CID 22981986) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2S)-2,5-diamino-5-(2,5-dihydro-1H-imidazol-2-yl)pentanoic acid.

Molecular Properties

Compound Name(2S)-2,5-diamino-5-(2,5-dihydro-1H-imidazol-2-yl)pentanoic acid
PubChem CID22981986
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name(2S)-2,5-diamino-5-(2,5-dihydro-1H-imidazol-2-yl)pentanoic acid
SMILESNC(CC[C@H](N)C(=O)O)C1N=CCN1
InChIInChI=1S/C8H16N4O2/c9-5(7-11-3-4-12-7)1-2-6(10)8(13)14/h3,5-7,12H,1-2,4,9-10H2,(H,13,14)/t5?,6-,7?/m0/s1
InChIKeyMKIHQWRHBUQVFV-HUDPQJTASA-N
XLogP-1.49
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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2-amino-3-(aziridin-2-yl)propanoic acid
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(2R,8R)-2,8-diaminononanedioic acid
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(2S,5R)-2,5-diamino-6-fluorohexanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diamino-5-(2,5-dihydro-1H-imidazol-2-yl)pentanoic acid?
The IUPAC name of (2S)-2,5-diamino-5-(2,5-dihydro-1H-imidazol-2-yl)pentanoic acid (CID 22981986) is (2S)-2,5-diamino-5-(2,5-dihydro-1H-imidazol-2-yl)pentanoic acid.
What is the SMILES notation for (2S)-2,5-diamino-5-(2,5-dihydro-1H-imidazol-2-yl)pentanoic acid?
The canonical SMILES for (2S)-2,5-diamino-5-(2,5-dihydro-1H-imidazol-2-yl)pentanoic acid is NC(CC[C@H](N)C(=O)O)C1N=CCN1.
What is the InChIKey of (2S)-2,5-diamino-5-(2,5-dihydro-1H-imidazol-2-yl)pentanoic acid?
The InChIKey is MKIHQWRHBUQVFV-HUDPQJTASA-N. The full InChI is InChI=1S/C8H16N4O2/c9-5(7-11-3-4-12-7)1-2-6(10)8(13)14/h3,5-7,12H,1-2,4,9-10H2,(H,13,14)/t5?,6-,7?/m0/s1.
What are the key properties of (2S)-2,5-diamino-5-(2,5-dihydro-1H-imidazol-2-yl)pentanoic acid?
(2S)-2,5-diamino-5-(2,5-dihydro-1H-imidazol-2-yl)pentanoic acid has a molecular weight of 200.24 g/mol, XLogP of -1.49, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diamino-5-(2,5-dihydro-1H-imidazol-2-yl)pentanoic acid is sourced from PubChem (CID 22981986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).