2-amino-5-[[amino-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]methylidene]amino]pentanoic acid

C11H19BrN4O3 — CID 168503415

IUPAC2-amino-5-[[amino-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]methylidene]amino]pentanoic acid
SMILESN/C(=N\CCCC(N)C(=O)O)N1CC(CBr)CC1=O
InChIInChI=1S/C11H19BrN4O3/c12-5-7-4-9(17)16(6-7)11(14)15-3-1-2-8(13)10(18)19/h7-8H,1-6,13H2,(H2,14,15)(H,18,19)
InChIKeyDUAZPYVBRFMFSA-UHFFFAOYSA-N
MW335.20 g/mol
LogP-0.26
Rot. Bonds6

About 2-amino-5-[[amino-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]methylidene]amino]pentanoic acid

2-amino-5-[[amino-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]methylidene]amino]pentanoic acid (PubChem CID 168503415) has the molecular formula C11H19BrN4O3 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-amino-5-[[amino-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]methylidene]amino]pentanoic acid.

Molecular Properties

Compound Name2-amino-5-[[amino-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]methylidene]amino]pentanoic acid
PubChem CID168503415
Molecular FormulaC11H19BrN4O3
Molecular Weight335.20 g/mol
Exact Mass334.06
IUPAC Name2-amino-5-[[amino-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]methylidene]amino]pentanoic acid
SMILESN/C(=N\CCCC(N)C(=O)O)N1CC(CBr)CC1=O
InChIInChI=1S/C11H19BrN4O3/c12-5-7-4-9(17)16(6-7)11(14)15-3-1-2-8(13)10(18)19/h7-8H,1-6,13H2,(H2,14,15)(H,18,19)
InChIKeyDUAZPYVBRFMFSA-UHFFFAOYSA-N
XLogP-0.26
TPSA122.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-5-[[amino-(4-amino-2-oxopyrrolidin-1-yl)methylidene]amino]pentanoic acid
CID 168698982
(2S)-5-[[(4-acetylsulfanyl-2-oxopyrrolidin-1-yl)-aminomethylidene]amino]-2-aminopentanoic acid
CID 168704559
(2S)-2-amino-5-[[amino(2,5-dihydropyrrol-1-yl)methylidene]amino]pentanoic acid
CID 44570132
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;pyrrolidin-2-one
CID 70013185
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[amino-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]methylidene]amino]pentanoic acid?
The IUPAC name of 2-amino-5-[[amino-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]methylidene]amino]pentanoic acid (CID 168503415) is 2-amino-5-[[amino-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]methylidene]amino]pentanoic acid.
What is the SMILES notation for 2-amino-5-[[amino-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]methylidene]amino]pentanoic acid?
The canonical SMILES for 2-amino-5-[[amino-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]methylidene]amino]pentanoic acid is N/C(=N\CCCC(N)C(=O)O)N1CC(CBr)CC1=O.
What is the InChIKey of 2-amino-5-[[amino-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]methylidene]amino]pentanoic acid?
The InChIKey is DUAZPYVBRFMFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O3/c12-5-7-4-9(17)16(6-7)11(14)15-3-1-2-8(13)10(18)19/h7-8H,1-6,13H2,(H2,14,15)(H,18,19).
What are the key properties of 2-amino-5-[[amino-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]methylidene]amino]pentanoic acid?
2-amino-5-[[amino-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]methylidene]amino]pentanoic acid has a molecular weight of 335.20 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[amino-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]methylidene]amino]pentanoic acid is sourced from PubChem (CID 168503415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).