5-[[amino(dimethylamino)methylidene]amino]-2-[(2,4-dioxocyclopentyl)methylamino]pentanoic acid

C14H24N4O4 — CID 59850455

IUPAC5-[[amino(dimethylamino)methylidene]amino]-2-[(2,4-dioxocyclopentyl)methylamino]pentanoic acid
SMILESCN(C)/C(N)=N/CCCC(NCC1CC(=O)CC1=O)C(=O)O
InChIInChI=1S/C14H24N4O4/c1-18(2)14(15)16-5-3-4-11(13(21)22)17-8-9-6-10(19)7-12(9)20/h9,11,17H,3-8H2,1-2H3,(H2,15,16)(H,21,22)
InChIKeyUAAKRFZQMIBXBF-UHFFFAOYSA-N
MW312.37 g/mol
LogP-0.77
Rot. Bonds8

About 5-[[amino(dimethylamino)methylidene]amino]-2-[(2,4-dioxocyclopentyl)methylamino]pentanoic acid

5-[[amino(dimethylamino)methylidene]amino]-2-[(2,4-dioxocyclopentyl)methylamino]pentanoic acid (PubChem CID 59850455) has the molecular formula C14H24N4O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-[[amino(dimethylamino)methylidene]amino]-2-[(2,4-dioxocyclopentyl)methylamino]pentanoic acid.

Molecular Properties

Compound Name5-[[amino(dimethylamino)methylidene]amino]-2-[(2,4-dioxocyclopentyl)methylamino]pentanoic acid
PubChem CID59850455
Molecular FormulaC14H24N4O4
Molecular Weight312.37 g/mol
Exact Mass312.18
IUPAC Name5-[[amino(dimethylamino)methylidene]amino]-2-[(2,4-dioxocyclopentyl)methylamino]pentanoic acid
SMILESCN(C)/C(N)=N/CCCC(NCC1CC(=O)CC1=O)C(=O)O
InChIInChI=1S/C14H24N4O4/c1-18(2)14(15)16-5-3-4-11(13(21)22)17-8-9-6-10(19)7-12(9)20/h9,11,17H,3-8H2,1-2H3,(H2,15,16)(H,21,22)
InChIKeyUAAKRFZQMIBXBF-UHFFFAOYSA-N
XLogP-0.77
TPSA125.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-[[amino(dimethylamino)methylidene]amino]-2-[[2-oxo-2-[(2-oxothiolan-3-yl)amino]ethyl]amino]pentanoic acid
CID 11631841
(2R)-5-[[amino(dimethylamino)methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 71433908
(2S)-5-(diaminomethylideneamino)-2-(pentylamino)pentanoic acid
CID 87921702
(2S)-5-(diaminomethylideneamino)-2-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethylamino]pentanoic acid
CID 24795848
16-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]hexadecanoic acid
CID 91121577
5-(diaminomethylideneamino)-2-(hexylamino)pentanoic acid
CID 19382481
(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid
CID 161367274
5-(diaminomethylideneamino)-2-(fluoromethylamino)pentanoic acid
CID 88629347
5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride
CID 23193375
5-(diaminomethylideneamino)-2-(methylamino)pentanamide
CID 58899050
ethyl 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoate
CID 176570974
(2S)-5-(diaminomethylideneamino)-2-(hexadecylamino)pentanoic acid;phosphoric acid
CID 174589082

Frequently Asked Questions

What is the IUPAC name of 5-[[amino(dimethylamino)methylidene]amino]-2-[(2,4-dioxocyclopentyl)methylamino]pentanoic acid?
The IUPAC name of 5-[[amino(dimethylamino)methylidene]amino]-2-[(2,4-dioxocyclopentyl)methylamino]pentanoic acid (CID 59850455) is 5-[[amino(dimethylamino)methylidene]amino]-2-[(2,4-dioxocyclopentyl)methylamino]pentanoic acid.
What is the SMILES notation for 5-[[amino(dimethylamino)methylidene]amino]-2-[(2,4-dioxocyclopentyl)methylamino]pentanoic acid?
The canonical SMILES for 5-[[amino(dimethylamino)methylidene]amino]-2-[(2,4-dioxocyclopentyl)methylamino]pentanoic acid is CN(C)/C(N)=N/CCCC(NCC1CC(=O)CC1=O)C(=O)O.
What is the InChIKey of 5-[[amino(dimethylamino)methylidene]amino]-2-[(2,4-dioxocyclopentyl)methylamino]pentanoic acid?
The InChIKey is UAAKRFZQMIBXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4/c1-18(2)14(15)16-5-3-4-11(13(21)22)17-8-9-6-10(19)7-12(9)20/h9,11,17H,3-8H2,1-2H3,(H2,15,16)(H,21,22).
What are the key properties of 5-[[amino(dimethylamino)methylidene]amino]-2-[(2,4-dioxocyclopentyl)methylamino]pentanoic acid?
5-[[amino(dimethylamino)methylidene]amino]-2-[(2,4-dioxocyclopentyl)methylamino]pentanoic acid has a molecular weight of 312.37 g/mol, XLogP of -0.77, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[amino(dimethylamino)methylidene]amino]-2-[(2,4-dioxocyclopentyl)methylamino]pentanoic acid is sourced from PubChem (CID 59850455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).