(2S)-2-amino-4-(deuterioamino)-5-(diaminomethylideneamino)pentanoic acid

C6H15N5O2 — CID 57054389

IUPAC(2S)-2-amino-4-(deuterioamino)-5-(diaminomethylideneamino)pentanoic acid
SMILES[2H]NC(CN=C(N)N)C[C@H](N)C(=O)O
InChIInChI=1S/C6H15N5O2/c7-3(2-11-6(9)10)1-4(8)5(12)13/h3-4H,1-2,7-8H2,(H,12,13)(H4,9,10,11)/t3?,4-/m0/s1/i/hD
InChIKeyQKEMZCKQBSVHDC-SFBZQYDXSA-N
MW190.23 g/mol
LogP-2.61
Rot. Bonds6

About (2S)-2-amino-4-(deuterioamino)-5-(diaminomethylideneamino)pentanoic acid

(2S)-2-amino-4-(deuterioamino)-5-(diaminomethylideneamino)pentanoic acid (PubChem CID 57054389) has the molecular formula C6H15N5O2 and a molecular weight of 190.23 g/mol. Its IUPAC name is (2S)-2-amino-4-(deuterioamino)-5-(diaminomethylideneamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(deuterioamino)-5-(diaminomethylideneamino)pentanoic acid
PubChem CID57054389
Molecular FormulaC6H15N5O2
Molecular Weight190.23 g/mol
Exact Mass190.13
IUPAC Name(2S)-2-amino-4-(deuterioamino)-5-(diaminomethylideneamino)pentanoic acid
SMILES[2H]NC(CN=C(N)N)C[C@H](N)C(=O)O
InChIInChI=1S/C6H15N5O2/c7-3(2-11-6(9)10)1-4(8)5(12)13/h3-4H,1-2,7-8H2,(H,12,13)(H4,9,10,11)/t3?,4-/m0/s1/i/hD
InChIKeyQKEMZCKQBSVHDC-SFBZQYDXSA-N
XLogP-2.61
TPSA153.74 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 5-2.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (2S)-2-amino-4-(deuterioamino)-5-(diaminomethylideneamino)pentanoic acid?
The IUPAC name of (2S)-2-amino-4-(deuterioamino)-5-(diaminomethylideneamino)pentanoic acid (CID 57054389) is (2S)-2-amino-4-(deuterioamino)-5-(diaminomethylideneamino)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(deuterioamino)-5-(diaminomethylideneamino)pentanoic acid?
The canonical SMILES for (2S)-2-amino-4-(deuterioamino)-5-(diaminomethylideneamino)pentanoic acid is [2H]NC(CN=C(N)N)C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(deuterioamino)-5-(diaminomethylideneamino)pentanoic acid?
The InChIKey is QKEMZCKQBSVHDC-SFBZQYDXSA-N. The full InChI is InChI=1S/C6H15N5O2/c7-3(2-11-6(9)10)1-4(8)5(12)13/h3-4H,1-2,7-8H2,(H,12,13)(H4,9,10,11)/t3?,4-/m0/s1/i/hD.
What are the key properties of (2S)-2-amino-4-(deuterioamino)-5-(diaminomethylideneamino)pentanoic acid?
(2S)-2-amino-4-(deuterioamino)-5-(diaminomethylideneamino)pentanoic acid has a molecular weight of 190.23 g/mol, XLogP of -2.61, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(deuterioamino)-5-(diaminomethylideneamino)pentanoic acid is sourced from PubChem (CID 57054389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).