(2S)-5-(diaminomethylideneamino)-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid

C10H16N4O4 — CID 123914070

IUPAC(2S)-5-(diaminomethylideneamino)-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
SMILESNC(N)=NCCC[C@@H](C(=O)O)n1c(O)ccc1O
InChIInChI=1S/C10H16N4O4/c11-10(12)13-5-1-2-6(9(17)18)14-7(15)3-4-8(14)16/h3-4,6,15-16H,1-2,5H2,(H,17,18)(H4,11,12,13)/t6-/m0/s1
InChIKeyGAKDZFIDJKWQRD-LURJTMIESA-N
MW256.26 g/mol
LogP-0.42
Rot. Bonds6

About (2S)-5-(diaminomethylideneamino)-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid

(2S)-5-(diaminomethylideneamino)-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid (PubChem CID 123914070) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2S)-5-(diaminomethylideneamino)-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid.

Molecular Properties

Compound Name(2S)-5-(diaminomethylideneamino)-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
PubChem CID123914070
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name(2S)-5-(diaminomethylideneamino)-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
SMILESNC(N)=NCCC[C@@H](C(=O)O)n1c(O)ccc1O
InChIInChI=1S/C10H16N4O4/c11-10(12)13-5-1-2-6(9(17)18)14-7(15)3-4-8(14)16/h3-4,6,15-16H,1-2,5H2,(H,17,18)(H4,11,12,13)/t6-/m0/s1
InChIKeyGAKDZFIDJKWQRD-LURJTMIESA-N
XLogP-0.42
TPSA147.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-6-amino-2-(2,5-dihydroxypyrrol-1-yl)hexanoic acid
CID 53646830
(2,5-dihydroxypyrrol-1-yl) (2S)-2,6-diaminohexanoate
CID 53858988
(2S)-5-amino-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
CID 54113363
2-(2,5-Dihydroxypyrrol-1-yl)butanedioic acid
CID 54377837
(2S)-2-(2,5-dihydroxypyrrol-1-yl)pentanedioic acid
CID 90753351
(2S)-2-(2,5-dihydroxypyrrol-1-yl)-4-hydroxybutanoic acid
CID 53877717
(2,5-dihydroxypyrrol-1-yl) (2S)-pyrrolidine-2-carboxylate
CID 54104390
5-(2,5-Dihydroxypyrrol-1-yl)-6-methoxy-6-oxohexanoic acid
CID 54114330
2-(2,5-Dihydroxypyrrol-1-yl)-3-oxopentanedioic acid
CID 54148814
2-(2,5-Dihydroxypyrrol-1-yl)pentanedioic acid
CID 54149107
(2S)-2-(2,5-dihydroxypyrrol-1-yl)propanoic acid
CID 54281088
2-(2,5-Dihydroxypyrrol-1-yl)propanoic acid
CID 54281089

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(diaminomethylideneamino)-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid?
The IUPAC name of (2S)-5-(diaminomethylideneamino)-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid (CID 123914070) is (2S)-5-(diaminomethylideneamino)-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid.
What is the SMILES notation for (2S)-5-(diaminomethylideneamino)-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid?
The canonical SMILES for (2S)-5-(diaminomethylideneamino)-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid is NC(N)=NCCC[C@@H](C(=O)O)n1c(O)ccc1O.
What is the InChIKey of (2S)-5-(diaminomethylideneamino)-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid?
The InChIKey is GAKDZFIDJKWQRD-LURJTMIESA-N. The full InChI is InChI=1S/C10H16N4O4/c11-10(12)13-5-1-2-6(9(17)18)14-7(15)3-4-8(14)16/h3-4,6,15-16H,1-2,5H2,(H,17,18)(H4,11,12,13)/t6-/m0/s1.
What are the key properties of (2S)-5-(diaminomethylideneamino)-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid?
(2S)-5-(diaminomethylideneamino)-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid has a molecular weight of 256.26 g/mol, XLogP of -0.42, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(diaminomethylideneamino)-2-(2,5-dihydroxypyrrol-1-yl)pentanoic acid is sourced from PubChem (CID 123914070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).