(2S)-5-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-2-aminopentanoic acid

C9H15N5O4 — CID 7300382

IUPAC(2S)-5-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-2-aminopentanoic acid
SMILESN[C@@H](CCCN1C(=O)N[C@@H]2NC(=O)N[C@H]21)C(=O)O
InChIInChI=1S/C9H15N5O4/c10-4(7(15)16)2-1-3-14-6-5(12-9(14)18)11-8(17)13-6/h4-6H,1-3,10H2,(H,12,18)(H,15,16)(H2,11,13,17)/t4-,5-,6-/m0/s1
InChIKeyFIAQGLNLSGZFKN-ZLUOBGJFSA-N
MW257.25 g/mol
LogP-1.83
Rot. Bonds5

About (2S)-5-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-2-aminopentanoic acid

(2S)-5-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-2-aminopentanoic acid (PubChem CID 7300382) has the molecular formula C9H15N5O4 and a molecular weight of 257.25 g/mol. Its IUPAC name is (2S)-5-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-2-aminopentanoic acid.

Molecular Properties

Compound Name(2S)-5-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-2-aminopentanoic acid
PubChem CID7300382
Molecular FormulaC9H15N5O4
Molecular Weight257.25 g/mol
Exact Mass257.11
IUPAC Name(2S)-5-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-2-aminopentanoic acid
SMILESN[C@@H](CCCN1C(=O)N[C@@H]2NC(=O)N[C@H]21)C(=O)O
InChIInChI=1S/C9H15N5O4/c10-4(7(15)16)2-1-3-14-6-5(12-9(14)18)11-8(17)13-6/h4-6H,1-3,10H2,(H,12,18)(H,15,16)(H2,11,13,17)/t4-,5-,6-/m0/s1
InChIKeyFIAQGLNLSGZFKN-ZLUOBGJFSA-N
XLogP-1.83
TPSA136.79 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-1.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze (2S)-5-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-2-aminopentanoic acid with MolForge

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Related Compounds

(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2S)-2-amino-6-(2,4-dioxo-1,3-diazinan-1-yl)hexanoic acid
CID 101112605
(2R)-2-amino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid
CID 10513406
(2R)-2-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-4-methylsulfanylbutanoic acid
CID 7282409
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-amino-5-(4-carbamoyldiazinan-1-yl)pentanoic acid
CID 162801560
(2S)-2,6-diamino-6-oxohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 160740452
2-amino-5-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)pentanoic acid
CID 3084726
2,10,10-triaminodecanoic acid
CID 141091504
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-2-aminopentanoic acid?
The IUPAC name of (2S)-5-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-2-aminopentanoic acid (CID 7300382) is (2S)-5-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-2-aminopentanoic acid.
What is the SMILES notation for (2S)-5-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-2-aminopentanoic acid?
The canonical SMILES for (2S)-5-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-2-aminopentanoic acid is N[C@@H](CCCN1C(=O)N[C@@H]2NC(=O)N[C@H]21)C(=O)O.
What is the InChIKey of (2S)-5-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-2-aminopentanoic acid?
The InChIKey is FIAQGLNLSGZFKN-ZLUOBGJFSA-N. The full InChI is InChI=1S/C9H15N5O4/c10-4(7(15)16)2-1-3-14-6-5(12-9(14)18)11-8(17)13-6/h4-6H,1-3,10H2,(H,12,18)(H,15,16)(H2,11,13,17)/t4-,5-,6-/m0/s1.
What are the key properties of (2S)-5-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-2-aminopentanoic acid?
(2S)-5-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-2-aminopentanoic acid has a molecular weight of 257.25 g/mol, XLogP of -1.83, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[(3aS,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-2-aminopentanoic acid is sourced from PubChem (CID 7300382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).